Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03046 | Target Info | |||
| Target Name | Mutated KRAS (mKRAS) | ||||
| Synonyms | c-Ki-ras (mutated); c-K-ras (mutated); RASK2 (mutated); Ki-Ras (mutated); KRAS2 (mutated); K-Ras 2 (mutated); GTPase KRas (mutated) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KRAS | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Guanosine-5'-Diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | QGWNDRXFNXRZMB-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398619 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5UQW Crystal structure of human KRAS G12V mutant in complex with GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
|
ALA11
3.862
VAL12
3.756
GLY13
2.790
VAL14
3.331
GLY15
3.046
LYS16
2.803
SER17
2.958
ALA18
2.715
LEU19
4.972
PHE28
3.363
VAL29
3.135
ASP30
2.910
GLU31
4.643
|
|||||
| PDB ID: 4DSU Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
STEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QSAMRDQYMR73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKCDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHKEKMSKD173 GKKKKKK
|
|||||
|
|
ALA11
3.803
ASP12
3.765
GLY13
2.746
VAL14
3.177
GLY15
2.992
LYS16
2.840
SER17
2.914
ALA18
2.826
PHE28
3.186
VAL29
2.906
ASP30
3.145
GLU31
3.384
TYR32
3.912
|
|||||
| PDB ID: 5US4 Crystal structure of human KRAS G12D mutant in complex with GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [1] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAS 65 AMRDQYMRTG75 EGFLCVFAIN85 NTKSFEDIHH95 YREQIKRVKD105 SEDVPMVLVG 115 NKCDLPSRTV125 DTKQAQDLAR135 SYGIPFIETS145 AKTRQGVDDA155 FYTLVREIRK 165 HKEK
|
|||||
|
|
ALA11
3.893
ASP12
3.820
GLY13
2.887
VAL14
3.276
GLY15
3.068
LYS16
2.981
SER17
2.995
ALA18
2.972
PHE28
3.400
VAL29
3.847
ASP30
2.803
GLU31
4.592
|
|||||
| PDB ID: 7T47 KRAS G12D (GppCp) with MRTX-1133 | ||||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | Yes | [3] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.880
ASP12
4.193
GLY13
3.177
VAL14
3.472
GLY15
2.960
LYS16
2.665
SER17
2.845
ALA18
2.735
LEU19
4.955
PHE28
3.370
VAL29
3.733
ASP30
2.777
GLU31
4.552
|
|||||
| PDB ID: 6PGP Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [4] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.748
CYS12
3.853
GLY13
2.806
VAL14
3.320
GLY15
3.055
LYS16
2.836
SER17
3.018
ALA18
2.773
LEU19
4.988
PHE28
3.012
VAL29
3.328
ASP30
2.689
|
|||||
| PDB ID: 8DNI Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.746
CYS12
3.946
GLY13
2.860
VAL14
3.338
GLY15
3.016
LYS16
2.735
SER17
2.917
ALA18
2.844
PHE28
3.427
VAL29
4.649
ASP30
2.831
GLU31
4.676
|
|||||
| PDB ID: 6PGO Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 RDQYMRTGEG77 FLLVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE107 DVPMVLVGNK 117 SDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY157 TLVREIRKHK 167
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.817
CYS12
3.840
GLY13
2.784
VAL14
3.358
GLY15
2.980
LYS16
2.768
SER17
2.986
ALA18
2.799
PHE28
3.308
VAL29
3.916
ASP30
2.741
GLU31
3.169
|
|||||
| PDB ID: 6OIM Crystal Structure of human KRAS G12C covalently bound to AMG 510 | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [6] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDVPMV 112 LVGNKSDLPS122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE 162 IRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.878
CYS12
3.961
GLY13
2.893
VAL14
3.423
GLY15
3.070
LYS16
2.789
SER17
2.985
ALA18
2.821
PHE28
3.390
VAL29
4.696
ASP30
2.838
GLU31
4.715
|
|||||
| PDB ID: 6P8Z Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [7] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQAMRDQYMR73 TGEGFLLVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKSDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.722
CYS12
3.832
GLY13
2.758
VAL14
3.232
GLY15
2.953
LYS16
2.843
SER17
3.079
ALA18
2.811
PHE28
3.103
VAL29
3.002
ASP30
2.558
GLU31
4.139
|
|||||
| PDB ID: 6P8W Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [7] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.893
CYS12
3.937
GLY13
2.816
VAL14
3.425
GLY15
3.035
LYS16
2.747
SER17
3.066
ALA18
2.860
PHE28
3.209
VAL29
3.557
ASP30
2.655
|
|||||
| PDB ID: 6P8X Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | Yes | [7] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.858
CYS12
4.018
GLY13
2.982
VAL14
3.363
GLY15
3.075
LYS16
2.794
SER17
3.030
ALA18
2.864
PHE28
3.221
VAL29
2.906
ASP30
2.600
|
|||||
| PDB ID: 6P8Y Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | Yes | [7] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.836
CYS12
4.262
GLY13
3.239
VAL14
3.452
GLY15
3.141
LYS16
2.719
SER17
2.903
ALA18
2.771
PHE28
3.574
VAL29
4.477
TYR32
3.444
|
|||||
| PDB ID: 7C41 KRAS G12V and H-REV107 peptide complex | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | Yes | [8] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.089
VAL12
3.711
GLY13
2.695
VAL14
2.920
GLY15
2.984
LYS16
2.839
SER17
3.346
ALA18
3.011
PHE28
3.198
VAL29
2.594
ASP30
2.760
|
|||||
| PDB ID: 7C40 MgGDP bound KRAS G12V | ||||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | Yes | [8] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.835
VAL12
3.731
GLY13
2.788
VAL14
3.629
GLY15
3.009
LYS16
2.579
SER17
2.781
ALA18
2.719
PHE28
3.223
VAL29
2.809
ASP30
2.639
GLU31
4.129
|
|||||
| PDB ID: 5XCO Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [9] |
| PDB Sequence |
SMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:35 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.026
ASP12
3.826
GLY13
2.838
VAL14
3.376
GLY15
2.996
LYS16
2.781
SER17
2.727
ALA18
2.899
PHE28
3.201
VAL29
2.748
ASP30
2.753
GLU31
4.569
|
|||||
| PDB ID: 7RP3 Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [10] |
| PDB Sequence |
STEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.716
CYS12
3.796
GLY13
2.829
VAL14
3.508
GLY15
2.963
LYS16
2.509
SER17
2.941
ALA18
2.784
LEU19
4.939
PHE28
3.436
VAL29
2.929
ASP30
2.661
GLU31
3.897
|
|||||
| PDB ID: 4QL3 Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas | ||||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | Yes | [11] |
| PDB Sequence |
GMTEYKLVVV
9 GARGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.823
ARG12
3.135
GLY13
1.927
VAL14
2.786
GLY15
2.265
LYS16
1.947
SER17
2.179
ALA18
2.018
LEU19
4.551
PHE28
2.854
VAL29
2.490
ASP30
2.018
GLU31
3.608
|
|||||
| PDB ID: 8AFB CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | ||||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | Yes | [12] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETC51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.830
CYS12
3.663
GLY13
2.764
VAL14
3.355
GLY15
3.006
LYS16
2.782
SER17
2.931
ALA18
2.887
PHE28
4.030
VAL29
4.969
ASP30
2.686
GLU31
4.674
|
|||||
| PDB ID: 4LDJ Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas | ||||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [13] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.824
CYS12
3.124
GLY13
1.952
VAL14
2.799
GLY15
2.235
LYS16
1.931
SER17
2.136
ALA18
2.065
LEU19
4.599
PHE28
3.126
VAL29
4.337
ASP30
1.865
GLU31
3.858
|
|||||
| PDB ID: 6TAN X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) | ||||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | Yes | [14] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.919
CYS12
3.880
GLY13
2.840
VAL14
3.349
GLY15
3.041
LYS16
2.787
SER17
2.941
ALA18
2.853
PHE28
3.592
VAL29
4.731
ASP30
2.767
GLU31
4.707
|
|||||
| PDB ID: 7O70 KRasG12C ligand complex | ||||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | Yes | [15] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.770
CYS12
3.877
GLY13
2.840
VAL14
3.345
GLY15
3.072
LYS16
2.811
SER17
3.070
ALA18
2.761
LEU19
4.993
PHE28
3.125
VAL29
2.881
ASP30
2.699
GLU31
4.716
|
|||||
| PDB ID: 4Q03 Second-site screening of K-Ras in the presence of covalently attached first-site ligands | ||||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [16] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDC39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.816
VAL12
3.105
GLY13
1.956
VAL14
2.902
GLY15
2.237
LYS16
1.941
SER17
2.143
ALA18
2.091
LEU19
4.551
PHE28
2.872
VAL29
2.818
ASP30
2.064
GLU31
3.602
|
|||||
| PDB ID: 7R0N KRasG12C in complex with GDP and compound 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [17] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDVPMV 112 LVGNKSDLPS122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE 162 IRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.844
CYS12
3.946
GLY13
2.860
VAL14
3.388
GLY15
3.088
LYS16
2.785
SER17
3.019
ALA18
2.852
PHE28
3.520
VAL29
4.851
ASP30
2.791
GLU31
4.767
|
|||||
| PDB ID: 7RT1 Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | ||||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | Yes | [18] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.819
ASP12
3.826
GLY13
2.802
VAL14
3.313
GLY15
3.042
LYS16
2.836
SER17
2.949
ALA18
2.843
PHE28
3.438
VAL29
4.520
ASP30
2.603
GLU31
4.724
|
|||||
| PDB ID: 7RT5 Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | ||||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [18] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.785
ASP12
3.802
GLY13
2.770
VAL14
3.292
GLY15
3.009
LYS16
2.833
SER17
2.956
ALA18
2.842
PHE28
3.246
VAL29
3.889
ASP30
3.694
TYR32
3.992
|
|||||
| PDB ID: 4LUC Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.793
CYS12
3.502
GLY13
2.026
VAL14
2.794
GLY15
2.241
LYS16
2.000
SER17
2.179
ALA18
1.934
LEU19
4.449
PHE28
2.709
VAL29
2.241
ASP30
1.867
GLU31
3.803
|
|||||
| PDB ID: 6B0V Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [20] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.806
CYS12
3.804
GLY13
2.745
VAL14
3.344
GLY15
3.022
LYS16
2.759
SER17
2.982
ALA18
2.760
PHE28
3.072
VAL29
2.876
ASP30
2.786
GLU31
4.823
|
|||||
| PDB ID: 7RPZ KRAS G12D in complex with MRTX-1133 | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [18] |
| PDB Sequence |
TEYKLVVVGA
11 DGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.807
ASP12
3.828
GLY13
2.787
VAL14
3.309
GLY15
3.038
LYS16
2.849
SER17
2.980
ALA18
2.859
PHE28
3.335
VAL29
4.227
ASP30
3.155
TYR32
3.999
|
|||||
| PDB ID: 7A1X KRASG12C GDP form in complex with Cpd1 | ||||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | Yes | [21] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.831
CYS12
3.759
GLY13
2.784
VAL14
3.343
GLY15
2.995
LYS16
2.779
SER17
2.950
ALA18
2.853
PHE28
3.808
VAL29
4.777
ASP30
2.670
GLU31
4.594
|
|||||
| PDB ID: 4EPV Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [22] |
| PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.757
GLY12
3.806
GLY13
2.858
VAL14
3.353
GLY15
3.066
LYS16
2.765
SER17
2.946
ALA18
2.795
PHE28
3.435
VAL29
3.728
ASP30
2.839
GLU31
4.593
|
|||||
| PDB ID: 4LYH Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 IEDSYRKQVV45 IDGETSLLDI55 LDTAGQEEYS 65 AMRDQYMRTG75 EGFLLVFAIN85 NTKSFEDIHH95 YREQIKRVKD105 SEDVPMVLVG 115 NKSDLPSRTV125 DTKQAQDLAR135 SYGIPFIETS145 AKTRQGVDDA155 FYTLVREIRK 165 HKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:36 or .A:38 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.770
CYS12
3.162
GLY13
1.946
VAL14
2.881
GLY15
2.276
LYS16
1.918
SER17
2.094
ALA18
2.096
LEU19
4.689
PHE28
2.952
VAL29
2.942
ASP30
2.330
ILE36
4.981
|
|||||
| PDB ID: 6T5B KRasG12C ligand complex | ||||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | Yes | [23] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 IREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.753
CYS12
3.906
GLY13
2.888
VAL14
3.286
GLY15
2.947
LYS16
2.809
SER17
2.996
ALA18
2.761
PHE28
3.574
VAL29
4.513
ASP30
3.107
GLU31
2.888
|
|||||
| PDB ID: 5V9U Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [24] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.747
CYS12
3.824
GLY13
2.809
VAL14
3.245
GLY15
2.949
LYS16
2.793
SER17
3.009
ALA18
2.819
PHE28
3.227
VAL29
2.749
ASP30
2.699
GLU31
4.301
|
|||||
| PDB ID: 4PZZ Second-site screening of K-Ras in the presence of covalently attached first-site ligands | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [16] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDC39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.846
VAL12
3.136
GLY13
2.010
VAL14
2.895
GLY15
2.238
LYS16
1.979
SER17
2.115
ALA18
2.003
LEU19
4.515
PHE28
2.773
VAL29
3.499
ASP30
1.566
GLU31
3.627
|
|||||
| PDB ID: 5F2E Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [25] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.722
CYS12
3.846
GLY13
2.771
VAL14
3.306
GLY15
2.986
LYS16
2.761
SER17
2.941
ALA18
2.871
PHE28
3.112
VAL29
3.268
ASP30
2.924
GLU31
4.674
|
|||||
| PDB ID: 6B0Y Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [20] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.747
CYS12
3.821
GLY13
2.810
VAL14
3.212
GLY15
2.966
LYS16
2.820
SER17
2.979
ALA18
2.793
PHE28
3.198
VAL29
2.873
ASP30
2.733
GLU31
4.459
|
|||||
| PDB ID: 5VBM Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [26] |
| PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GEYSAMRDQY71 CRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:58 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.964
GLY12
3.212
GLY13
1.961
VAL14
2.693
GLY15
2.237
LYS16
1.983
SER17
2.132
ALA18
2.078
LEU19
4.729
PHE28
2.971
VAL29
4.309
ASP30
1.870
GLU31
3.822
TYR32
3.747
|
|||||
| PDB ID: 4M1Y Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EEDSYRKQVV45 IDGETSLLDI55 LDTAGEEYSA 66 MRDQYMRTGE76 GFLLVFAINN86 TKSFEDIHHY96 REQIKRVKDS106 EDVPMVLVGN 116 KSDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF156 YTLVREIRKH 166 KE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.837
CYS12
3.220
GLY13
1.980
VAL14
2.880
GLY15
2.188
LYS16
1.870
SER17
2.098
ALA18
2.064
LEU19
4.651
PHE28
2.970
VAL29
2.769
ASP30
2.527
|
|||||
| PDB ID: 4LV6 Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.719
CYS12
3.504
GLY13
2.074
VAL14
2.822
GLY15
2.229
LYS16
1.883
SER17
2.216
ALA18
1.977
LEU19
4.546
PHE28
2.746
VAL29
2.486
ASP30
1.840
GLU31
3.831
|
|||||
| PDB ID: 4L8G Crystal Structure of K-Ras G12C, GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAQ 70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP110 MVLVGNKCDL 120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV160 REIRKHK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.784
CYS12
3.032
GLY13
1.971
VAL14
2.759
GLY15
2.278
LYS16
1.916
SER17
2.141
ALA18
2.046
LEU19
4.564
PHE28
2.765
VAL29
2.149
ASP30
1.871
GLU31
2.825
|
|||||
| PDB ID: 6ASE KRAS mutant-A59G in GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [27] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTGG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:33 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4M1S Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EDSYRKQVVI46 DGETSLLDIL56 DTAGQEEYSA 66 MRDQYMRTGE76 GFLLVFAINN86 TKSFEDIHHY96 REQIKRVKDS106 EDVPMVLVGN 116 KSDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF156 YTLVREIRKH 166 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.854
CYS12
3.231
GLY13
1.967
VAL14
2.881
GLY15
2.231
LYS16
1.962
SER17
2.065
ALA18
2.025
LEU19
4.693
PHE28
3.015
VAL29
3.078
|
|||||
| PDB ID: 7RT3 Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | ||||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [18] |
| PDB Sequence |
TEYKLVVVGA
11 DGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.738
ASP12
3.805
GLY13
2.807
VAL14
3.334
GLY15
3.046
LYS16
2.773
SER17
2.990
ALA18
2.807
PHE28
3.388
VAL29
2.982
ASP30
3.340
GLU31
3.239
|
|||||
| PDB ID: 4LYF Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EDSYRKQVVI46 DGETSLLDIL56 DTAGQEEYSA 66 MRDQYMRTGE76 GFLLVFAINN86 TKSFEDIHHY96 REQIKRVKDS106 EDVPMVLVGN 116 KSDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF156 YTLVREIRKH 166 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:38 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.864
CYS12
3.271
GLY13
1.988
VAL14
2.862
GLY15
2.210
LYS16
1.904
SER17
2.124
ALA18
2.052
LEU19
4.676
PHE28
2.951
VAL29
2.892
ASP30
2.757
|
|||||
| PDB ID: 4M1O Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EDSYRKQVVI46 DGETSLLDIL56 DTAGQEEYSA 66 MRDQYMRTGE76 GFLLVFAINN86 TKSFEDIHHY96 REQIKRVKDS106 EDVPMVLVGN 116 KSDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF156 YTLVREIRKH 166 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.845
CYS12
3.226
GLY13
1.969
VAL14
2.919
GLY15
2.214
LYS16
1.899
SER17
2.054
ALA18
2.084
LEU19
4.670
PHE28
3.006
VAL29
2.953
|
|||||
| PDB ID: 4M1W Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EDSYRKQVVI46 DGETSLLDIL56 DTAGQESAMR 68 DQYMRTGEGF78 LLVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED108 VPMVLVGNKS 118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT158 LVREIRKHKE 168
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.865
CYS12
3.147
GLY13
1.971
VAL14
2.911
GLY15
2.216
LYS16
1.943
SER17
2.052
ALA18
2.018
LEU19
4.672
PHE28
2.993
VAL29
2.959
ASP30
2.512
|
|||||
| PDB ID: 6WS2 Crystal structure of KRAS-K104Q mutant, GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [28] |
| PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVQDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.901
GLY12
3.833
GLY13
2.827
VAL14
3.305
GLY15
3.012
LYS16
2.830
SER17
2.954
ALA18
2.779
PHE28
3.297
VAL29
3.538
ASP30
2.933
GLU31
4.710
|
|||||
| PDB ID: 7RT2 Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [18] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.739
ASP12
3.800
GLY13
2.789
VAL14
3.281
GLY15
3.056
LYS16
2.744
SER17
2.936
ALA18
2.737
PHE28
3.321
VAL29
2.851
ASP30
2.771
GLU31
4.334
|
|||||
| PDB ID: 7R0M KRasG12C in complex with GDP and JDQ443 | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [17] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.676
CYS12
3.812
GLY13
2.812
VAL14
3.201
GLY15
2.996
LYS16
2.830
SER17
3.086
ALA18
2.852
PHE28
3.116
VAL29
3.412
ASP30
2.752
GLU31
3.846
|
|||||
| PDB ID: 8AFD CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | ||||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [12] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDC39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.852
VAL12
2.953
GLY13
1.811
VAL14
2.892
GLY15
2.136
LYS16
1.597
SER17
1.941
ALA18
1.913
LEU19
4.430
PHE28
1.995
VAL29
3.830
ASP30
2.468
GLU31
4.028
|
|||||
| PDB ID: 5WHD Crystal structure of KRas G12V/D38P, bound to GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | Yes | [29] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEPSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:57 or .A:59 or .A:62 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.927
VAL12
3.730
GLY13
2.725
VAL14
3.507
GLY15
3.144
LYS16
2.791
SER17
2.959
ALA18
2.851
PHE28
3.690
VAL29
4.580
ASP57
4.960
|
|||||
| PDB ID: 6TAM X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) | ||||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | Yes | [14] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.813
CYS12
3.915
GLY13
2.871
VAL14
3.350
GLY15
3.051
LYS16
2.772
SER17
3.006
ALA18
2.839
PHE28
3.426
VAL29
4.740
ASP30
2.783
GLU31
4.706
|
|||||
| PDB ID: 6ZL5 CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [30] |
| PDB Sequence |
GMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GSAMRDQYMR73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKSDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.776
ASP12
3.780
GLY13
2.804
VAL14
3.311
GLY15
3.008
LYS16
2.800
SER17
2.985
ALA18
2.825
PHE28
3.340
VAL29
4.540
ASP30
3.134
|
|||||
| PDB ID: 5YY1 Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | Yes | [31] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.750
CYS12
3.811
GLY13
2.802
VAL14
3.389
GLY15
2.997
LYS16
2.736
SER17
3.018
ALA18
2.782
PHE28
3.278
VAL29
3.532
ASP30
2.719
GLU31
4.584
|
|||||
| PDB ID: 4EPW Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [22] |
| PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.729
GLY12
3.687
GLY13
2.702
VAL14
3.281
GLY15
3.087
LYS16
2.783
SER17
2.963
ALA18
2.723
PHE28
3.158
VAL29
3.200
ASP30
2.854
GLU31
4.603
|
|||||
| PDB ID: 4Q02 Second-site screening of K-Ras in the presence of covalently attached first-site ligands | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [16] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDC39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.804
VAL12
3.722
GLY13
2.742
VAL14
3.376
GLY15
3.025
LYS16
2.827
SER17
2.916
ALA18
2.812
PHE28
3.411
VAL29
3.505
ASP30
2.815
GLU31
4.614
|
|||||
| PDB ID: 5VP7 Crystal structure of human KRAS G12A mutant in complex with GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [32] |
| PDB Sequence |
HMTEYKLVVV
9 GAAGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.725
ALA12
3.874
GLY13
2.879
VAL14
3.321
GLY15
3.094
LYS16
2.753
SER17
2.919
ALA18
2.724
PHE28
3.544
VAL29
3.541
ASP30
2.715
GLU31
4.397
|
|||||
| PDB ID: 4M1T Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 IEDSYRKQVV45 IDGETSLLDI55 LDTAGQEEYS 65 AMRDQYMRTG75 EGFLLVFAIN85 NTKSFEDIHH95 YREQIKRVKD105 SEDVPMVLVG 115 NKSDLPSRTV125 DTKQAQDLAR135 SYGIPFIETS145 AKTRQGVDDA155 FYTLVREIRK 165 HKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.909
CYS12
3.228
GLY13
2.036
VAL14
2.848
GLY15
2.212
LYS16
1.880
SER17
2.105
ALA18
2.053
LEU19
4.631
PHE28
3.010
VAL29
3.616
ASP30
2.606
|
|||||
| PDB ID: 5V6S Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [33] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.854
CYS12
3.350
GLY13
1.999
VAL14
3.002
GLY15
2.317
LYS16
1.912
SER17
2.246
ALA18
2.044
LEU19
4.562
PHE28
2.645
VAL29
2.122
ASP30
2.312
GLU31
3.822
|
|||||
| PDB ID: 5YXZ Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [34] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.838
CYS12
3.901
GLY13
2.832
VAL14
3.331
GLY15
3.024
LYS16
2.733
SER17
3.027
ALA18
2.759
PHE28
3.436
VAL29
3.842
ASP30
2.961
GLU31
4.666
|
|||||
| PDB ID: 5V6V Crystal structure of small molecule aziridine 3 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [33] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.803
CYS12
3.455
GLY13
2.003
VAL14
2.815
GLY15
2.212
LYS16
1.858
SER17
2.160
ALA18
2.103
LEU19
4.649
PHE28
2.250
VAL29
2.964
ASP30
2.105
GLU31
2.250
|
|||||
| PDB ID: 6N2K Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [35] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.773
CYS12
3.846
GLY13
2.830
VAL14
3.280
GLY15
3.012
LYS16
2.791
SER17
2.939
ALA18
2.789
PHE28
3.199
VAL29
2.735
ASP30
2.631
GLU31
4.503
|
|||||
| PDB ID: 6ARK Crystal Structure of compound 10 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [36] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEMRDQYMR73 TGEGFLLVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKSDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.810
CYS12
3.233
GLY13
2.040
VAL14
2.889
GLY15
2.119
LYS16
1.678
SER17
2.091
ALA18
2.111
LEU19
4.773
PHE28
2.249
VAL29
2.666
ASP30
2.429
GLU31
3.424
|
|||||
| PDB ID: 4EPX Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [22] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.788
VAL12
3.796
GLY13
2.789
VAL14
3.340
GLY15
3.092
LYS16
2.736
SER17
2.948
ALA18
2.807
PHE28
3.257
VAL29
3.628
ASP30
2.893
GLU31
4.672
|
|||||
| PDB ID: 5W22 Crystal structure of human WT-KRAS in complex with GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [32] |
| PDB Sequence |
HMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.856
GLY12
3.785
GLY13
2.805
VAL14
3.276
GLY15
3.073
LYS16
2.759
SER17
2.965
ALA18
2.816
PHE28
3.458
VAL29
3.548
ASP30
2.666
GLU31
4.289
|
|||||
| PDB ID: 7A1W KRASG12C GDP form in complex with Cpd3 | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [21] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.926
CYS12
3.749
GLY13
2.769
VAL14
3.466
GLY15
3.085
LYS16
2.706
SER17
2.975
ALA18
2.832
PHE28
3.241
VAL29
2.865
ASP30
2.828
GLU31
4.362
|
|||||
| PDB ID: 5VQ1 Crystal structure of human KRAS Q61A mutant in complex with GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [32] |
| PDB Sequence |
HMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GASAMRDQYM72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV 112 LVGNKSDLPS122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE 162 IRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.821
GLY12
3.896
GLY13
2.958
VAL14
3.375
GLY15
3.087
LYS16
2.770
SER17
2.932
ALA18
2.790
PHE28
3.435
VAL29
3.335
ASP30
2.728
GLU31
4.406
|
|||||
| PDB ID: 7YCC KRas G12C in complex with Compound 5c | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | Yes | [37] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEMRDQYMRT74 GEGFLCVFAI84 NNTKSFEDIH94 HYREQIKRVK104 DSEDVPMVLV 114 GNKSDLPSRT124 VDTKQAQDLA134 RSYGIPFIET144 SAKTRQGVDD154 AFYTLVREIR 164 KHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.612
CYS12
3.738
GLY13
2.694
VAL14
3.454
GLY15
3.087
LYS16
2.498
SER17
2.966
ALA18
2.618
LEU19
4.908
PHE28
3.441
VAL29
3.120
ASP30
2.711
|
|||||
| PDB ID: 4EPY Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [22] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.746
VAL12
3.906
GLY13
3.075
VAL14
3.328
GLY15
2.957
LYS16
2.596
SER17
2.745
ALA18
2.839
PHE28
3.378
VAL29
3.771
ASP30
2.619
GLU31
4.508
|
|||||
| PDB ID: 7TLG Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [38] |
| PDB Sequence |
GMTEYKLVVV
9 GASGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.893
SER12
3.751
GLY13
2.753
VAL14
3.358
GLY15
3.002
LYS16
2.853
SER17
2.924
ALA18
2.906
PHE28
3.793
ASP30
2.756
GLU31
4.802
TYR32
3.776
|
|||||
| PDB ID: 6N2J Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [35] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.698
CYS12
3.730
GLY13
2.737
VAL14
3.320
GLY15
3.073
LYS16
2.794
SER17
2.990
ALA18
2.797
PHE28
3.232
VAL29
3.030
ASP30
2.682
GLU31
4.391
|
|||||
| PDB ID: 7YCE KRas G12C in complex with Compound 7b | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [37] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.759
CYS12
3.812
GLY13
2.803
VAL14
3.427
GLY15
3.002
LYS16
2.731
SER17
2.933
ALA18
2.707
LEU19
4.956
PHE28
3.539
VAL29
3.052
ASP30
2.732
|
|||||
| PDB ID: 6WS4 Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [39] |
| PDB Sequence |
GMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVQDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.930
ASP12
3.710
GLY13
2.836
VAL14
3.431
GLY15
3.159
LYS16
2.747
SER17
2.971
ALA18
2.909
PHE28
3.406
VAL29
3.630
ASP30
3.058
GLU31
4.683
|
|||||
| PDB ID: 7ACQ CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [40] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QSAMRDQYMR73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKCDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.889
ASP12
4.014
GLY13
2.947
VAL14
3.408
GLY15
3.055
LYS16
2.643
SER17
3.009
ALA18
2.767
PHE28
3.527
VAL29
3.371
ASP30
2.817
GLU31
4.422
|
|||||
| PDB ID: 4PZY Second-site screening of K-Ras in the presence of covalently attached first-site ligands | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [16] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 CYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.740
VAL12
3.796
GLY13
2.815
VAL14
3.223
GLY15
3.055
LYS16
2.798
SER17
2.923
ALA18
2.847
PHE28
3.093
VAL29
2.713
ASP30
3.218
TYR32
3.812
|
|||||
| PDB ID: 4LYJ Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | Yes | [19] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLLV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKSDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:62 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.699
CYS12
4.012
GLY13
2.951
VAL14
3.289
GLY15
3.091
LYS16
2.656
SER17
2.950
ALA18
2.893
PHE28
3.397
VAL29
2.891
ASP30
2.969
GLU31
4.807
|
|||||
| PDB ID: 4M21 Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 IEDSYRKQVV45 IDGETSLLDI55 LDTAGQSAMR 68 DQYMRTGEGF78 LLVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED108 VPMVLVGNKS 118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT158 LVREIRKHK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.880
CYS12
3.316
GLY13
2.064
VAL14
2.895
GLY15
2.280
LYS16
1.809
SER17
2.134
ALA18
2.132
LEU19
4.738
PHE28
3.016
VAL29
3.072
ASP30
2.665
|
|||||
| PDB ID: 6UT0 Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [41] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.710
CYS12
3.107
GLY13
1.917
VAL14
2.865
GLY15
2.281
LYS16
1.773
SER17
2.188
ALA18
1.988
LEU19
4.420
PHE28
2.666
VAL29
3.961
ASP30
1.720
GLU31
3.642
|
|||||
| PDB ID: 7R0Q KRasG12C in complex with GDP and compound 3 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [17] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.627
CYS12
3.999
GLY13
2.965
VAL14
3.135
GLY15
3.088
LYS16
2.648
SER17
3.015
ALA18
2.879
PHE28
3.341
VAL29
3.640
ASP30
2.683
GLU31
4.895
|
|||||
| PDB ID: 4WA7 Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [11] |
| PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP110 MVLVGNKCDL 120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV160 REIRKHK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.791
GLY12
3.132
GLY13
1.960
VAL14
2.856
GLY15
2.204
LYS16
1.784
SER17
2.225
ALA18
1.979
LEU19
4.477
PHE28
2.796
VAL29
2.383
ASP30
2.121
GLU31
2.946
|
|||||
| PDB ID: 7EWB GDP-bound KRAS G12D in complex with TH-Z835 | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [42] |
| PDB Sequence |
GMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.833
ASP12
3.925
GLY13
2.857
VAL14
3.324
GLY15
3.033
LYS16
2.789
SER17
2.907
ALA18
2.675
LEU19
4.923
PHE28
3.275
VAL29
3.343
ASP30
2.590
GLU31
4.617
|
|||||
| PDB ID: 4EPR Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [22] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.803
ASP12
3.740
GLY13
2.818
VAL14
3.209
GLY15
2.916
LYS16
2.955
SER17
2.991
ALA18
2.754
PHE28
3.327
VAL29
3.566
ASP30
2.824
GLU31
4.741
|
|||||
| PDB ID: 4EPT Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [22] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.752
GLY12
3.767
GLY13
2.789
VAL14
3.495
GLY15
2.898
LYS16
2.750
SER17
2.999
ALA18
2.880
PHE28
3.276
VAL29
3.767
ASP30
3.289
GLU31
2.986
|
|||||
| PDB ID: 7A1Y KRASG12C GDP form in complex with Cpd2 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [21] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYMRDQYM72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV 112 LVGNKCDLPS122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE 162 IRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.836
CYS12
3.791
GLY13
2.841
VAL14
3.403
GLY15
3.093
LYS16
2.790
SER17
2.991
ALA18
2.853
PHE28
3.292
VAL29
2.593
ASP30
2.606
GLU31
4.146
|
|||||
| PDB ID: 6USZ Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [41] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.729
CYS12
3.801
GLY13
2.825
VAL14
3.389
GLY15
3.093
LYS16
2.637
SER17
2.944
ALA18
2.821
PHE28
3.194
VAL29
3.198
ASP30
2.666
GLU31
4.584
|
|||||
| PDB ID: 5WHA KRas G12V, bound to GDP and miniprotein 225-11 | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [29] |
| PDB Sequence |
TEYKLVVVGA
11 VGVGKSALTI21 QLIQNSYRKQ43 VVIDGETCLL53 DILDTAGQEE63 YSAMRDQYMR 73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL113 VGNKCDLPSR 123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI163 RKH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4M22 Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | Yes | [19] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAR 68 DQYMRTGEGF78 LLVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED108 VPMVLVGNKS 118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT158 LVREIRKHKE 168
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.875
CYS12
3.132
GLY13
1.923
VAL14
2.901
GLY15
2.234
LYS16
1.869
SER17
2.204
ALA18
2.102
LEU19
4.581
PHE28
2.903
VAL29
2.729
ASP30
2.199
GLU31
3.503
|
|||||
| PDB ID: 7RT4 KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine) | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [18] |
| PDB Sequence |
GMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.754
ASP12
3.822
GLY13
2.778
VAL14
3.445
GLY15
3.043
LYS16
2.675
SER17
2.968
ALA18
2.900
PHE28
3.399
VAL29
3.924
ASP30
2.743
GLU31
4.551
|
|||||
| PDB ID: 7EW9 GDP-bound KRAS G12D in complex with TH-Z816 | ||||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | Yes | [42] |
| PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.997
ASP12
3.773
GLY13
2.790
VAL14
3.432
GLY15
2.809
LYS16
2.578
SER17
2.952
ALA18
2.779
LEU19
4.949
PHE28
3.451
VAL29
3.317
ASP30
2.759
GLU31
4.574
|
|||||
| PDB ID: 4LRW Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [19] |
| PDB Sequence |
TEYKLVVVGA
11 CGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETS51 LLDILDTAYM 72 RTGEGFLLVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV112 LVGNKSDLPS 122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE162 IRKHK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.966
CYS12
3.612
GLY13
2.648
VAL14
3.491
GLY15
3.004
LYS16
2.663
SER17
3.012
ALA18
2.927
PHE28
3.182
VAL29
3.085
ASP30
2.395
GLU31
3.468
|
|||||
| PDB ID: 7RP4 Crystal structure of KRAS G12C in complex with GNE-1952 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [10] |
| PDB Sequence |
STEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.594
CYS12
4.105
GLY13
3.053
VAL14
3.545
GLY15
2.993
LYS16
2.562
SER17
2.850
ALA18
2.720
PHE28
3.152
VAL29
3.301
ASP30
2.273
GLU31
4.190
|
|||||
| PDB ID: 7A47 KRASG12C GDP form in complex with Cpd4 | ||||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | Yes | [21] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:32 or .A:57 or .A:59 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.886
CYS12
3.867
GLY13
2.873
VAL14
3.310
GLY15
3.024
LYS16
2.769
SER17
2.630
ALA18
2.789
PHE28
3.170
VAL29
3.750
ASP30
3.037
TYR32
4.995
|
|||||
| PDB ID: 5WHB KRas G12V, bound to GDP and miniprotein 225-11(A30R) | ||||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | Yes | [29] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVI36 EDSYRKQVVI46 DGETCLLDIL56 DTAGQEEYSA 66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS106 EDVPMVLVGN 116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF156 YTLVREIRKH 166
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7RP2 Crystal structure of Kas G12C in complex with 2H11 CLAMP | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [10] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKEK169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.762
CYS12
4.067
GLY13
2.966
VAL14
3.585
GLY15
2.904
LYS16
2.446
SER17
2.942
ALA18
2.827
PHE28
3.359
VAL29
4.356
ASP30
2.957
GLU31
3.166
|
|||||
| PDB ID: 7EWA GDP-bound KRAS G12D in complex with TH-Z827 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [42] |
| PDB Sequence |
GMTEYKLVVV
9 GADGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.062
ASP12
3.983
GLY13
2.949
VAL14
3.643
GLY15
3.021
LYS16
2.607
SER17
2.997
ALA18
2.713
PHE28
3.328
VAL29
3.303
ASP30
2.760
GLU31
4.547
|
|||||
| PDB ID: 6USX Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | Yes | [41] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.664
CYS12
3.092
GLY13
1.982
VAL14
2.948
GLY15
2.276
LYS16
1.926
SER17
2.034
ALA18
2.009
LEU19
4.637
PHE28
2.771
VAL29
1.978
ASP30
1.967
GLU31
1.367
|
|||||
| PDB ID: 5VQ0 Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [32] |
| PDB Sequence |
MTEYKLVVVG
10 AAGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV109 PMVLVGNKSD 119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL159 VREIRKHKEK 169
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.891
ALA12
3.977
GLY13
2.986
VAL14
3.179
GLY15
2.686
LYS16
2.827
SER17
2.862
ALA18
2.826
PHE28
3.164
VAL29
2.928
ASP30
2.509
GLU31
4.489
|
|||||
| PDB ID: 5VQ8 Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [32] |
| PDB Sequence |
HMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDSYRKQV44 VIDGETCLLD54 ILDTMRDQYM 72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV112 LVGNKSDLPS 122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE162 IRKHKE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.669
GLY12
3.937
GLY13
2.877
VAL14
3.340
GLY15
2.838
LYS16
2.762
SER17
3.075
ALA18
2.825
PHE28
3.134
VAL29
3.129
ASP30
2.600
|
|||||
| PDB ID: 4TQA Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | ||||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | Yes | [11] |
| PDB Sequence |
GMTEYKLVVV
9 GAGDVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.891
GLY12
3.307
ASP13
2.019
VAL14
2.801
GLY15
2.259
LYS16
1.955
SER17
2.187
ALA18
2.063
LEU19
4.513
PHE28
2.718
VAL29
2.553
ASP30
1.975
GLU31
3.932
|
|||||
| PDB ID: 4Q01 Second-site screening of K-Ras in the presence of covalently attached first-site ligands | ||||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [16] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDCY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.872
VAL12
3.243
GLY13
1.976
VAL14
2.976
GLY15
2.248
LYS16
1.856
SER17
2.225
ALA18
2.095
LEU19
4.546
PHE28
2.718
VAL29
3.491
ASP30
1.663
GLU31
3.345
|
|||||
| PDB ID: 7F0W Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation | ||||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | Yes | [43] |
| PDB Sequence |
TEYKLVVVGA
11 DGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETC51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKCDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:55 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.861
ASP12
3.449
GLY13
2.052
VAL14
2.857
GLY15
2.247
LYS16
1.934
SER17
2.023
ALA18
2.107
LEU19
4.731
ILE55
4.332
ASP57
4.562
|
|||||
| PDB ID: 7OO7 KRasG12C ligand complex | ||||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | Yes | [15] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TSLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 LVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKSD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.807
CYS12
3.964
GLY13
2.973
VAL14
3.421
GLY15
3.113
LYS16
2.744
SER17
2.932
ALA18
2.741
LEU19
4.962
PHE28
3.135
VAL29
2.839
ASP30
2.803
|
|||||
| PDB ID: 4TQ9 Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | ||||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [11] |
| PDB Sequence |
GMTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.824
VAL12
3.170
GLY13
1.941
VAL14
2.875
GLY15
2.217
LYS16
1.894
SER17
2.120
ALA18
2.049
LEU19
4.549
PHE28
2.987
VAL29
3.458
ASP30
2.077
GLU31
3.995
|
|||||
| PDB ID: 5V9O KRAS G12C inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [44] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.769
CYS12
3.839
GLY13
2.785
VAL14
3.318
GLY15
3.065
LYS16
2.807
SER17
2.934
ALA18
2.720
LEU19
4.868
PHE28
3.149
VAL29
3.011
ASP30
2.798
|
|||||
| PDB ID: 6MQN Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [45] |
| PDB Sequence |
MTEYKLVVVG
10 AGGIGKSALT20 IQLIQNHFVE37 DSYRKQVVID47 GETCLLDILD57 TAGQEEYSAM 67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE107 DVPMVLVGNK 117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY157 TLVREIRKHK 167 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:58 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.770
GLY12
3.074
GLY13
2.004
ILE14
2.385
GLY15
2.172
LYS16
1.859
SER17
2.109
ALA18
2.058
LEU19
4.687
PHE28
2.477
THR58
3.835
|
|||||
| PDB ID: 7TLK Crystal Structure of K-Ras(G12S) | ||||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [38] |
| PDB Sequence |
MTEYKLVVVG
10 ASGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.786
SER12
3.947
GLY13
2.851
VAL14
3.299
GLY15
3.031
LYS16
2.710
SER17
3.059
ALA18
2.730
LEU19
4.964
PHE28
3.244
VAL29
2.811
ASP30
2.748
|
|||||
| PDB ID: 7EYX Crystal structure of Mg-free KRAS-G12D bound to GDP | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [46] |
| PDB Sequence |
STEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPDSYRKQ43 VVIDGETCLL53 DILDTAGQEE 63 YSAMRDQYMR73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKCDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:59 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.695
ASP12
3.090
GLY13
1.970
VAL14
2.836
GLY15
2.190
LYS16
1.867
SER17
2.194
ALA18
1.904
LEU19
4.418
PHE28
2.709
VAL29
2.277
ASP30
1.932
GLU31
2.842
|
|||||
| PDB ID: 7MDP KRas G12C in complex with G-2897 | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [10] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.758
CYS12
4.305
GLY13
3.154
VAL14
3.615
GLY15
2.832
LYS16
1.300
SER17
3.082
ALA18
3.161
PHE28
3.890
VAL29
4.716
ASP30
2.644
GLU31
3.603
|
|||||
| PDB ID: 5V9L KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [44] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.834
CYS12
3.561
GLY13
2.469
VAL14
3.303
GLY15
2.993
LYS16
2.690
SER17
3.044
ALA18
2.834
PHE28
3.281
VAL29
3.564
ASP30
2.428
GLU31
4.418
|
|||||
| PDB ID: 7TLE Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S) | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [38] |
| PDB Sequence |
MTEYKLVVVG
10 ASGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 SLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLL80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.845
SER12
3.651
GLY13
2.867
VAL14
3.414
GLY15
3.020
LYS16
2.632
SER17
2.941
ALA18
2.778
PHE28
3.247
VAL29
2.813
ASP30
2.836
GLU31
4.334
|
|||||
| PDB ID: 6H46 Human KRAS in complex with darpin K13 | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [47] |
| PDB Sequence |
SHMTEYKLVV
8 VGAVGVGKSA18 LTIQLIQNHF28 VDEYDPTIED38 SYRKQVVIDG48 ETCLLDILDT 58 AGQEEYSAMR68 DQYMRTGEGF78 LCVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED 108 VPMVLVGNKC118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT 158 LVREIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:59 or .A:62 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.853
VAL12
3.823
GLY13
2.781
VAL14
3.447
GLY15
3.059
LYS16
2.889
SER17
3.109
ALA18
2.914
PHE28
3.476
VAL29
3.574
ALA59
3.459
|
|||||
| PDB ID: 5V71 KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | Yes | [48] |
| PDB Sequence |
GMTEYKLVVV
9 GACGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEYSAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.513
CYS12
4.040
GLY13
3.057
VAL14
3.313
GLY15
2.942
LYS16
2.612
SER17
2.745
ALA18
2.735
LEU19
4.949
PHE28
3.368
VAL29
2.889
ASP30
2.487
GLU31
4.389
|
|||||
| PDB ID: 8AFC CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | ||||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | Yes | [12] |
| PDB Sequence |
MTEYKLVVVG
10 ACGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKSDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.892
CYS12
4.029
GLY13
2.921
VAL14
3.368
GLY15
3.120
LYS16
2.778
SER17
2.985
ALA18
2.781
PHE28
3.477
VAL29
3.884
ASP30
2.776
GLU31
4.631
|
|||||
| PDB ID: 5MLB Crystal structure of human RAS in complex with darpin K27 | ||||||
| Method | X-ray diffraction | Resolution | 3.22 Å | Mutation | Yes | [49] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.095
VAL12
4.170
GLY13
3.070
VAL14
3.717
GLY15
3.003
LYS16
2.803
SER17
2.600
ALA18
2.669
LEU19
4.992
PHE28
3.090
VAL29
2.782
ASP30
2.909
GLU31
3.495
|
|||||
| PDB ID: 5O2S Human KRAS in complex with darpin K27 | ||||||
| Method | X-ray diffraction | Resolution | 3.22 Å | Mutation | Yes | [50] |
| PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:34 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.095
VAL12
4.170
GLY13
3.070
VAL14
3.717
GLY15
3.003
LYS16
2.803
SER17
2.600
ALA18
2.669
LEU19
4.992
PHE28
3.090
VAL29
2.782
ASP30
2.909
GLU31
3.495
|
|||||
| PDB ID: 6BOF Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [51] |
| PDB Sequence |
TEYKLVVVGA
11 GGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETC51 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKCDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSTKTRQG151 VDDAFYTLVR 161 EIRKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:55 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7KMR Crystal structure analysis of human KRAS mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | Yes | [52] |
| PDB Sequence |
TEYKLVVVGA
11 GGVGKSALTI21 QLIQNHFVDE31 YDPTIEDSYR41 KQVVIDGETC51 LLDILDTEGQ 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHHYREQIK101 RVKDSEDVPM 111 VLVGNKCDLP121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR 161 EIRKHKEKMS171 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:57 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6ASA KRAS mutant-D33E in GDP-bound | ||||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | Yes | [27] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYEPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:34 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6MQG Crystal structure of KRAS V14I-GDP demonstrating open switch 1 conformation - Form 1 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [45] |
| PDB Sequence |
EYKLVVVGAG
12 GIGKSALTIQ22 LIQNHFVDEY32 DPTIEDSYRK42 QVVIDGETCL52 LDILDTAGQE 62 EYSAMRDQYM72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV 112 LVGNKDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHKEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:55 or .A:57 or .A:116 or .A:117 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6E6G KRAS G13D bound to GDP (K13GDP) | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | Yes | [53] |
| PDB Sequence |
MTEYKLVVVG
10 AGDVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:57 or .A:59 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.670
GLY12
4.311
ASP13
3.250
VAL14
3.354
GLY15
3.070
LYS16
2.668
SER17
2.725
ALA18
2.761
LEU19
4.981
PHE28
3.440
VAL29
2.813
ASP30
2.689
GLU31
4.078
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell. 2017 Feb 23;168(5):878-889.e29. | ||||
| REF 2 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc Natl Acad Sci U S A. 2012 Apr 3;109(14):5299-304. | ||||
| REF 3 | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors. doi:10.21203/rs.3.rs-1261963/v1. | ||||
| REF 4 | Discovery of a Covalent Inhibitor of KRAS(G12C) (AMG 510) for the Treatment of Solid Tumors. J Med Chem. 2020 Jan 9;63(1):52-65. | ||||
| REF 5 | Modeling receptor flexibility in the structure-based design of KRAS(G12C) inhibitors. J Comput Aided Mol Des. 2022 Aug;36(8):591-604. | ||||
| REF 6 | The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity. Nature. 2019 Nov;575(7781):217-223. | ||||
| REF 7 | Discovery of N-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRAS(G12C). ACS Med Chem Lett. 2019 Aug 20;10(9):1302-1308. | ||||
| REF 8 | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel). 2020 May 30;12(6):1412. | ||||
| REF 9 | Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d. ACS Med Chem Lett. 2017 May 10;8(7):732-736. | ||||
| REF 10 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat Biotechnol. 2022 May;40(5):769-778. | ||||
| REF 11 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res. 2015 Sep;13(9):1325-35. | ||||
| REF 12 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS(G12C) Inhibitor. J Med Chem. 2022 Nov 10;65(21):14614-14629. | ||||
| REF 13 | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc Natl Acad Sci U S A. 2014 Jun 17;111(24):8895-900. | ||||
| REF 14 | Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRAS(G12C). ChemMedChem. 2020 May 19;15(10):827-832. | ||||
| REF 15 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS(G12C). J Med Chem. 2022 May 12;65(9):6940-6952. | ||||
| REF 16 | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J Biomol NMR. 2014 Sep;60(1):11-4. | ||||
| REF 17 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov. 2022 Jun 2;12(6):1500-1517. | ||||
| REF 18 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS(G12D) Inhibitor. J Med Chem. 2022 Feb 24;65(4):3123-3133. | ||||
| REF 19 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-51. | ||||
| REF 20 | The reactivity-driven biochemical mechanism of covalent KRAS(G12C) inhibitors. Nat Struct Mol Biol. 2018 Jun;25(6):454-462. | ||||
| REF 21 | KRAS G12C fragment screening renders new binding pockets. Small GTPases. 2022 Jan;13(1):225-238. | ||||
| REF 22 | Discovery of small molecules that bind to K-Ras and inhibit Sos-mediated activation. Angew Chem Int Ed Engl. 2012 Jun 18;51(25):6140-3. | ||||
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