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 | Phosphoaminophosphonic acid-guanylate ester | Ligand Info | |||
Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N | ||||
InChI | 1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 | ||||
InChIKey | UQABYHGXWYXDTK-UUOKFMHZSA-N | ||||
PubChem Compound ID | 135403657 |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
PDB ID: 5OCG Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | ||||||
Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | Yes | [1] |
PDB Sequence |
STEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEKM170 SK
|
|||||
|
GLY10
4.899
ALA11
3.839
ASP12
3.404
GLY13
3.257
VAL14
3.121
GLY15
3.000
LYS16
2.671
SER17
2.858
ALA18
2.767
LEU19
4.987
PHE28
3.340
VAL29
2.594
ASP30
2.952
GLU31
3.449
TYR32
3.520
ASP33
4.312
|
|||||
PDB ID: 5USJ Crystal Structure of human KRAS G12D mutant in complex with GDPNP | ||||||
Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [2] |
PDB Sequence |
GSHMTEYKLV
7 VVGADGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKE
|
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|
GLY10
4.707
ALA11
3.897
ASP12
3.308
GLY13
3.038
VAL14
3.271
GLY15
3.047
LYS16
2.495
SER17
2.892
ALA18
2.761
LEU19
4.996
PHE28
3.310
VAL29
2.692
ASP30
2.833
GLU31
3.882
TYR32
3.145
ASP33
4.291
|
|||||
PDB ID: 6CC9 NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | ||||||
Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [3] |
PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEKM170 SKDGKKKKKK180 SKTKC
|
|||||
|
ALA11
4.719
VAL12
3.345
GLY13
2.192
VAL14
3.496
GLY15
2.310
LYS16
2.605
SER17
2.090
ALA18
3.448
PHE28
3.351
VAL29
3.403
ASP30
3.058
GLU31
2.841
TYR32
3.469
|
|||||
PDB ID: 6CCH NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state) | ||||||
Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [3] |
PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEKM170 SKDGKKKKKK180 SKTKC
|
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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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:60 or .B:116 or .B:117 or .B:119 or .B:120 or .B:145 or .B:146 or .B:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.718
VAL12
3.443
GLY13
1.942
VAL14
2.668
GLY15
3.665
LYS16
3.010
SER17
2.016
ALA18
3.548
PHE28
3.361
VAL29
3.483
ASP30
2.832
GLU31
3.655
TYR32
3.312
|
|||||
PDB ID: 6CCX NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | ||||||
Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [3] |
PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEKM170 SKDGKKKKKK180 SKTKC
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:19 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:60 or .B:116 or .B:117 or .B:119 or .B:120 or .B:145 or .B:146 or .B:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.743
VAL12
3.512
GLY13
2.061
VAL14
3.315
GLY15
2.867
LYS16
2.246
SER17
2.036
ALA18
2.482
LEU19
4.864
PHE28
3.537
VAL29
3.540
ASP30
2.847
GLU31
3.955
|
|||||
PDB ID: 5OCO Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | ||||||
Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [1] |
PDB Sequence |
YFQGMTEYKL
6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 EK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10
4.832
ALA11
3.859
GLY12
3.451
GLY13
3.061
VAL14
3.250
GLY15
3.053
LYS16
2.684
SER17
2.988
ALA18
2.755
PHE28
3.369
VAL29
2.630
ASP30
2.861
GLU31
3.475
TYR32
3.647
ASP33
4.346
|
|||||
PDB ID: 5OCT Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | ||||||
Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | Yes | [1] |
PDB Sequence |
YFQGMTEYKL
6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 E
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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
|
GLY10
4.758
ALA11
3.831
GLY12
3.493
GLY13
3.082
VAL14
3.412
GLY15
3.190
LYS16
2.578
SER17
2.938
ALA18
2.737
PHE28
3.451
VAL29
2.634
ASP30
2.813
GLU31
3.508
TYR32
3.588
ASP33
4.340
|
|||||
PDB ID: 6FA1 Antibody derived (Abd-4) small molecule binding to KRAS. | ||||||
Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [1] |
PDB Sequence |
> Chain A
AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 E> Chain B AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 EK> Chain E AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETCLLDIL 56 DTAGHEEYSA66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS 106 EDVPMVLVGN116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF 156 YTLVREIRKH166 KEK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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 .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147 or .E:10 or .E:11 or .E:12 or .E:13 or .E:14 or .E:15 or .E:16 or .E:17 or .E:18 or .E:28 or .E:29 or .E:30 or .E:31 or .E:32 or .E:33 or .E:34 or .E:35 or .E:57 or .E:58 or .E:59 or .E:60 or .E:116 or .E:117 or .E:118 or .E:119 or .E:120 or .E:144 or .E:145 or .E:146 or .E:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.846
ALA11[A]
3.914
GLY12[A]
3.482
GLY13[A]
2.986
VAL14[A]
3.291
GLY15[A]
3.047
LYS16[A]
2.633
SER17[A]
2.963
ALA18[A]
2.772
PHE28[A]
3.402
VAL29[A]
2.614
ASP30[A]
2.862
GLU31[A]
3.541
TYR32[A]
3.595
ASP33[A]
4.319
PRO34[A]
3.424
THR35[A]
2.777
ASP57[A]
4.738
THR58[A]
4.161
ALA59[A]
3.930
GLY60[A]
2.979
ASN116[A]
2.992
LYS117[A]
3.274
CYS118[A]
4.765
ASP119[A]
2.875
LEU120[A]
3.613
THR144[A]
4.556
SER145[A]
3.348
ALA146[A]
2.846
LYS147[A]
3.742
GLY10[B]
4.813
ALA11[B]
3.827
GLY12[B]
3.505
GLY13[B]
3.087
VAL14[B]
3.275
GLY15[B]
3.080
LYS16[B]
2.569
SER17[B]
2.942
ALA18[B]
2.782
PHE28[B]
3.375
VAL29[B]
2.638
ASP30[B]
2.869
GLU31[B]
3.588
TYR32[B]
3.653
ASP33[B]
4.299
PRO34[B]
3.270
THR35[B]
2.811
ASP57[B]
4.741
THR58[B]
4.037
ALA59[B]
3.957
GLY60[B]
2.925
ASN116[B]
3.054
LYS117[B]
3.316
CYS118[B]
4.878
ASP119[B]
2.879
LEU120[B]
3.634
THR144[B]
4.608
SER145[B]
3.392
ALA146[B]
2.782
LYS147[B]
3.707
GLY10[E]
4.925
ALA11[E]
3.830
GLY12[E]
3.682
GLY13[E]
3.009
VAL14[E]
3.376
GLY15[E]
3.124
LYS16[E]
2.688
SER17[E]
3.049
ALA18[E]
2.762
PHE28[E]
3.388
VAL29[E]
2.704
ASP30[E]
2.986
GLU31[E]
3.660
TYR32[E]
3.410
ASP33[E]
4.338
PRO34[E]
3.493
THR35[E]
2.973
ASP57[E]
4.762
THR58[E]
4.162
ALA59[E]
3.809
GLY60[E]
2.755
ASN116[E]
3.058
LYS117[E]
3.136
CYS118[E]
4.932
ASP119[E]
2.884
LEU120[E]
3.735
THR144[E]
4.596
SER145[E]
3.386
ALA146[E]
2.795
LYS147[E]
3.741
|
|||||
PDB ID: 6FA4 Antibody derived (Abd-7) small molecule binding to KRAS. | ||||||
Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | Yes | [1] |
PDB Sequence |
> Chain A
AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETCLLDIL 56 DTAGHEEYSA66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS 106 EDVPMVLVGN116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF 156 YTLVREIRKH166 KE> Chain B AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 EK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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 .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.945
ALA11[A]
3.806
GLY12[A]
3.621
GLY13[A]
3.122
VAL14[A]
3.383
GLY15[A]
3.186
LYS16[A]
2.676
SER17[A]
2.991
ALA18[A]
2.676
LEU19[A]
4.962
PHE28[A]
3.309
VAL29[A]
2.601
ASP30[A]
3.003
GLU31[A]
3.533
TYR32[A]
3.710
ASP33[A]
4.478
PRO34[A]
3.363
THR35[A]
2.789
ASP57[A]
4.774
THR58[A]
4.118
ALA59[A]
3.988
GLY60[A]
2.916
ASN116[A]
3.084
LYS117[A]
3.247
CYS118[A]
4.837
ASP119[A]
2.840
LEU120[A]
3.576
THR144[A]
4.745
SER145[A]
3.449
ALA146[A]
2.854
LYS147[A]
3.611
GLY10[B]
4.991
ALA11[B]
3.947
GLY12[B]
3.559
GLY13[B]
3.074
VAL14[B]
3.275
GLY15[B]
2.987
LYS16[B]
2.675
SER17[B]
3.029
ALA18[B]
2.754
PHE28[B]
3.362
VAL29[B]
2.669
ASP30[B]
2.808
GLU31[B]
3.599
TYR32[B]
3.652
ASP33[B]
4.291
PRO34[B]
3.251
THR35[B]
2.895
ASP57[B]
4.665
THR58[B]
4.160
ALA59[B]
4.050
GLY60[B]
2.974
ASN116[B]
3.091
LYS117[B]
3.118
CYS118[B]
4.933
ASP119[B]
2.743
LEU120[B]
3.436
THR144[B]
4.727
SER145[B]
3.465
ALA146[B]
2.822
LYS147[B]
3.661
|
|||||
PDB ID: 6GOG KRAS-169 Q61H GPPNHP | ||||||
Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [4] |
PDB Sequence |
FQGMTEYKLV
7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.841
ALA11
3.854
GLY12
3.658
GLY13
3.041
VAL14
3.205
GLY15
3.002
LYS16
2.656
SER17
2.943
ALA18
2.749
PHE28
3.307
VAL29
2.609
ASP30
2.809
GLU31
3.582
TYR32
3.684
ASP33
4.263
PRO34
3.408
|
|||||
PDB ID: 6F76 Antibody derived (Abd-8) small molecule binding to KRAS. | ||||||
Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [5] |
PDB Sequence |
AFQGMTEYKL
6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETCLLDIL 56 DTAGHEEYSA66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS 106 EDVPMVLVGN116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF 156 YTLVREIRKH166 KE
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10
4.957
ALA11
3.938
GLY12
3.726
GLY13
3.161
VAL14
3.360
GLY15
3.040
LYS16
2.575
SER17
3.098
ALA18
2.808
PHE28
3.395
VAL29
2.593
ASP30
2.764
GLU31
3.638
TYR32
3.714
ASP33
4.371
|
|||||
PDB ID: 6GOE KRAS full length G12V GPPNHP | ||||||
Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [4] |
PDB Sequence |
GSTEYKLVVV
9 GAVGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQMRDQYMRT74 GEGFLCVFAI84 NNTKSFEDIH94 HYREQIKRVK104 DSEDVPMVLV 114 GNKCDLPSRT124 VDTKQAQDLA134 RSYGIPFIET144 SAKTRQGVDD154 AFYTLVREIR 164 KHKEKMS
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.910
ALA11
3.952
VAL12
3.582
GLY13
3.191
VAL14
3.327
GLY15
3.067
LYS16
2.612
SER17
2.947
ALA18
2.821
PHE28
3.401
VAL29
2.890
ASP30
2.742
GLU31
4.351
TYR32
2.409
ASP33
4.474
PRO34
3.599
|
|||||
PDB ID: 6GOM KRAS-169 Q61H GPPNHP + PPIN-1 | ||||||
Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [4] |
PDB Sequence |
FQGMTEYKLV
7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETLLDILDT 58 AGHEEYSAMR68 DQYMRTGEGF78 LCVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED 108 VPMVLVGNKC118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT 158 LVREIRKHKE168
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.913
ALA11
3.925
GLY12
3.600
GLY13
3.091
VAL14
3.253
GLY15
3.083
LYS16
2.723
SER17
2.968
ALA18
2.827
PHE28
3.385
VAL29
2.713
ASP30
2.905
GLU31
3.499
TYR32
3.762
ASP33
4.380
PRO34
3.493
|
|||||
PDB ID: 6FA3 Antibody derived (Abd-6) small molecule binding to KRAS. | ||||||
Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [1] |
PDB Sequence |
> Chain A
FQGMTEYKLV 7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 E> Chain B AFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 E
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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 .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.772
ALA11[A]
3.870
GLY12[A]
3.574
GLY13[A]
3.071
VAL14[A]
3.258
GLY15[A]
3.113
LYS16[A]
2.643
SER17[A]
2.913
ALA18[A]
2.730
PHE28[A]
3.435
VAL29[A]
2.681
ASP30[A]
2.828
GLU31[A]
3.565
TYR32[A]
3.648
ASP33[A]
4.298
PRO34[A]
3.379
THR35[A]
2.868
ASP57[A]
4.668
THR58[A]
4.117
ALA59[A]
3.810
GLY60[A]
2.763
ASN116[A]
3.126
LYS117[A]
3.253
CYS118[A]
4.821
ASP119[A]
2.791
LEU120[A]
3.477
THR144[A]
4.680
SER145[A]
3.456
ALA146[A]
2.911
LYS147[A]
3.650
GLY10[B]
4.812
ALA11[B]
3.918
GLY12[B]
3.464
GLY13[B]
3.087
VAL14[B]
3.248
GLY15[B]
3.071
LYS16[B]
2.638
SER17[B]
2.995
ALA18[B]
2.722
PHE28[B]
3.379
VAL29[B]
2.587
ASP30[B]
2.892
GLU31[B]
3.518
TYR32[B]
3.590
ASP33[B]
4.315
PRO34[B]
3.376
THR35[B]
2.803
ASP57[B]
4.689
THR58[B]
4.116
ALA59[B]
3.944
GLY60[B]
2.913
ASN116[B]
3.071
LYS117[B]
3.156
CYS118[B]
4.779
ASP119[B]
2.791
LEU120[B]
3.412
THR144[B]
4.577
SER145[B]
3.399
ALA146[B]
2.815
LYS147[B]
3.703
|
|||||
PDB ID: 6GOF KRAS full length G12D GPPNHP | ||||||
Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [4] |
PDB Sequence |
STEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHKEKM170 SK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.984
ALA11
3.790
ASP12
3.515
GLY13
3.171
VAL14
3.308
GLY15
3.071
LYS16
2.678
SER17
2.915
ALA18
2.824
PHE28
3.210
VAL29
2.863
ASP30
3.137
GLU31
3.485
TYR32
3.496
ASP33
4.472
PRO34
3.343
|
|||||
PDB ID: 6GQT KRAS-169 Q61H GPPNHP + PPIN-2 | ||||||
Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | Yes | [4] |
PDB Sequence |
FQGMTEYKLV
7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 E
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.863
ALA11
3.980
GLY12
3.723
GLY13
3.156
VAL14
3.310
GLY15
3.065
LYS16
2.675
SER17
2.989
ALA18
2.835
PHE28
3.372
VAL29
2.716
ASP30
2.969
GLU31
3.573
TYR32
3.696
ASP33
4.376
PRO34
3.524
|
|||||
PDB ID: 6GQX KRAS-169 Q61H GPPNHP + CH-2 | ||||||
Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [4] |
PDB Sequence |
> Chain A
YFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETCLLDIL 56 DTAGHEEYSA66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS 106 EDVPMVLVGN116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF 156 YTLVREIRKH166 K> Chain B FQGMTEYKLV 7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHEESAMR68 DQYMRTGEGF78 LCVFAINNTK88 SFEDIHHYRE98 QIKRVKDSED 108 VPMVLVGNKC118 DLPSRTVDTK128 QAQDLARSYG138 IPFIETSAKT148 RQGVDDAFYT 158 LVREIRKHK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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 .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:61 or .B:116 or .B:117 or .B:118 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.900
ALA11[A]
3.810
GLY12[A]
3.720
GLY13[A]
3.104
VAL14[A]
3.304
GLY15[A]
3.076
LYS16[A]
2.649
SER17[A]
2.913
ALA18[A]
2.708
PHE28[A]
3.416
VAL29[A]
2.623
ASP30[A]
2.688
GLU31[A]
3.690
TYR32[A]
3.598
ASP33[A]
4.401
PRO34[A]
3.425
THR35[A]
2.950
ASP57[A]
4.653
THR58[A]
3.966
ALA59[A]
3.759
GLY60[A]
2.725
HIS61[A]
4.830
ASN116[A]
3.043
LYS117[A]
3.208
CYS118[A]
4.821
ASP119[A]
2.718
LEU120[A]
3.590
THR144[A]
4.637
SER145[A]
3.401
ALA146[A]
2.819
LYS147[A]
3.762
GLY10[B]
4.992
ALA11[B]
3.867
GLY12[B]
3.446
GLY13[B]
3.077
VAL14[B]
3.297
GLY15[B]
3.042
LYS16[B]
2.742
SER17[B]
2.936
ALA18[B]
2.770
PHE28[B]
3.479
VAL29[B]
2.568
ASP30[B]
2.620
GLU31[B]
3.549
TYR32[B]
3.605
ASP33[B]
4.241
PRO34[B]
3.220
THR35[B]
3.074
ASP57[B]
4.606
THR58[B]
3.959
ALA59[B]
3.951
GLY60[B]
2.877
HIS61[B]
4.947
ASN116[B]
3.049
LYS117[B]
3.229
CYS118[B]
4.836
ASP119[B]
2.758
LEU120[B]
3.503
THR144[B]
4.672
SER145[B]
3.412
ALA146[B]
2.836
LYS147[B]
3.703
|
|||||
PDB ID: 6FA2 Antibody derived (Abd-5) small molecule binding to KRAS. | ||||||
Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
PDB Sequence |
> Chain A
MTEYKLVVVG 10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 HEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHHYREQI100 KRVKDSEDVP 110 MVLVGNKCDL120 PSRTVDTKQA130 QDLARSYGIP140 FIETSAKTRQ150 GVDDAFYTLV 160 REIRKHK> Chain B FQGMTEYKLV 7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHESAMRD69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDSEDV 109 PMVLVGNKCD119 LPSRTVDTKQ129 AQDLARSYGI139 PFIETSAKTR149 QGVDDAFYTL 159 VREIRKHK> Chain C YFQGMTEYKL 6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTD38 SYRKQVVIDG48 ETCLLDILDT 58 AGSAMRDQYM72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV 112 LVGNKCDLPS122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE 162 IRKHK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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 .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:15 or .B:16 or .B:17 or .B:18 or .B:28 or .B:29 or .B:30 or .B:31 or .B:32 or .B:33 or .B:34 or .B:35 or .B:57 or .B:58 or .B:59 or .B:60 or .B:61 or .B:116 or .B:117 or .B:119 or .B:120 or .B:144 or .B:145 or .B:146 or .B:147 or .C:10 or .C:11 or .C:12 or .C:13 or .C:14 or .C:15 or .C:16 or .C:17 or .C:18 or .C:28 or .C:29 or .C:30 or .C:31 or .C:32 or .C:33 or .C:34 or .C:35 or .C:57 or .C:58 or .C:59 or .C:60 or .C:116 or .C:117 or .C:118 or .C:119 or .C:120 or .C:144 or .C:145 or .C:146 or .C:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.914
ALA11[A]
3.813
GLY12[A]
3.781
GLY13[A]
3.241
VAL14[A]
3.536
GLY15[A]
3.090
LYS16[A]
2.533
SER17[A]
2.964
ALA18[A]
2.701
PHE28[A]
3.375
VAL29[A]
2.888
ASP30[A]
2.598
GLU31[A]
3.831
TYR32[A]
3.417
ASP33[A]
4.368
PRO34[A]
3.631
THR35[A]
2.806
ASP57[A]
4.771
THR58[A]
4.229
ALA59[A]
3.955
GLY60[A]
3.066
HIS61[A]
4.796
ASN116[A]
2.873
LYS117[A]
3.155
CYS118[A]
4.868
ASP119[A]
2.708
LEU120[A]
3.364
THR144[A]
4.630
SER145[A]
3.362
ALA146[A]
2.859
LYS147[A]
3.613
GLY10[B]
4.966
ALA11[B]
3.779
GLY12[B]
3.608
GLY13[B]
3.316
VAL14[B]
3.304
GLY15[B]
2.957
LYS16[B]
2.665
SER17[B]
2.942
ALA18[B]
2.824
PHE28[B]
3.436
VAL29[B]
2.607
ASP30[B]
2.905
GLU31[B]
4.005
TYR32[B]
3.477
ASP33[B]
4.400
PRO34[B]
3.527
THR35[B]
2.967
ASP57[B]
4.520
THR58[B]
4.073
ALA59[B]
4.110
GLY60[B]
3.178
HIS61[B]
4.745
ASN116[B]
3.047
LYS117[B]
3.053
ASP119[B]
2.758
LEU120[B]
3.394
THR144[B]
4.724
SER145[B]
3.537
ALA146[B]
2.832
LYS147[B]
3.723
GLY10[C]
4.847
ALA11[C]
3.985
GLY12[C]
3.257
GLY13[C]
3.223
VAL14[C]
3.470
GLY15[C]
3.000
LYS16[C]
2.747
SER17[C]
3.014
ALA18[C]
2.779
PHE28[C]
3.239
VAL29[C]
2.974
ASP30[C]
2.972
GLU31[C]
4.135
TYR32[C]
3.443
ASP33[C]
4.353
PRO34[C]
3.290
THR35[C]
3.211
ASP57[C]
4.775
THR58[C]
3.476
ALA59[C]
3.964
GLY60[C]
2.951
ASN116[C]
2.778
LYS117[C]
2.954
CYS118[C]
4.695
ASP119[C]
2.673
LEU120[C]
3.561
THR144[C]
4.429
SER145[C]
3.247
ALA146[C]
2.894
LYS147[C]
3.736
|
|||||
PDB ID: 6GQY KRAS-169 Q61H GPPNHP + CH-3 | ||||||
Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | Yes | [4] |
PDB Sequence |
YFQGMTEYKL
6 VVVGAGGVGK16 SALTIQLIQN26 HFVDEYDPTI36 EDSYRKQVVI46 DGETCLLDIL 56 DTAGHEEYSA66 MRDQYMRTGE76 GFLCVFAINN86 TKSFEDIHHY96 REQIKRVKDS 106 EDVPMVLVGN116 KCDLPSRTVD126 TKQAQDLARS136 YGIPFIETSA146 KTRQGVDDAF 156 YTLVREIRKH166 K
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.848
ALA11
3.836
GLY12
3.474
GLY13
3.217
VAL14
3.303
GLY15
3.052
LYS16
2.576
SER17
2.754
ALA18
2.766
PHE28
3.518
VAL29
2.647
ASP30
2.688
GLU31
3.768
TYR32
3.665
ASP33
4.379
PRO34
3.670
|
|||||
PDB ID: 6GQW KRAS-169 Q61H GPPNHP + CH-1 | ||||||
Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [4] |
PDB Sequence |
> Chain A
FQGMTEYKLV 7 VVGAGGVGKS17 ALTIQLIQNH27 FVDEYDPTIE37 DSYRKQVVID47 GETCLLDILD 57 TAGHEEYSAM67 RDQYMRTGEG77 FLCVFAINNT87 KSFEDIHHYR97 EQIKRVKDSE 107 DVPMVLVGNK117 CDLPSRTVDT127 KQAQDLARSY137 GIPFIETSAK147 TRQGVDDAFY 157 TLVREIRKHK167 > Chain E YFQGMTEYKL 6 VVVGAGGVGK16 SALVIQLIQN26 HFVDEYDPED38 SYRKQVVIDG48 ETCLLDILDT 58 AGRDQYMRTG75 EGFLCVFAIN85 NTKSFEDIHH95 YREQIKRVKD105 SEDVPMVLVG 115 NKCDLPSRTV125 DTKQAQDLAR135 SYGIPFIETS145 AKTRQGVDDA155 FYTLVREIRK 165 HK
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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 .E:10 or .E:11 or .E:12 or .E:13 or .E:14 or .E:15 or .E:16 or .E:17 or .E:18 or .E:28 or .E:29 or .E:30 or .E:31 or .E:32 or .E:33 or .E:34 or .E:57 or .E:58 or .E:59 or .E:60 or .E:116 or .E:117 or .E:118 or .E:119 or .E:120 or .E:144 or .E:145 or .E:146 or .E:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY10[A]
4.843
ALA11[A]
3.891
GLY12[A]
3.498
GLY13[A]
3.177
VAL14[A]
3.466
GLY15[A]
3.118
LYS16[A]
2.520
SER17[A]
2.887
ALA18[A]
2.775
PHE28[A]
3.284
VAL29[A]
2.786
ASP30[A]
2.610
GLU31[A]
3.711
TYR32[A]
3.698
ASP33[A]
4.421
PRO34[A]
3.540
THR35[A]
2.693
ASP57[A]
4.700
THR58[A]
4.112
ALA59[A]
4.155
GLY60[A]
3.185
HIS61[A]
4.867
ASN116[A]
3.039
LYS117[A]
3.220
CYS118[A]
4.865
ASP119[A]
2.851
LEU120[A]
3.514
THR144[A]
4.636
SER145[A]
3.412
ALA146[A]
2.754
LYS147[A]
3.730
GLY10[E]
4.890
ALA11[E]
3.940
GLY12[E]
3.190
GLY13[E]
3.064
VAL14[E]
3.462
GLY15[E]
2.999
LYS16[E]
2.849
SER17[E]
2.994
ALA18[E]
2.890
PHE28[E]
3.447
VAL29[E]
2.889
ASP30[E]
2.956
GLU31[E]
4.022
TYR32[E]
3.619
ASP33[E]
4.460
PRO34[E]
3.375
ASP57[E]
4.932
THR58[E]
3.895
ALA59[E]
4.065
GLY60[E]
2.976
ASN116[E]
3.118
LYS117[E]
3.088
CYS118[E]
4.931
ASP119[E]
2.713
LEU120[E]
3.616
THR144[E]
4.631
SER145[E]
3.409
ALA146[E]
2.767
LYS147[E]
3.705
|
|||||
PDB ID: 6CU6 Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b | ||||||
Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [6] |
PDB Sequence |
GMTEYKLVVV
9 GARGVGKSAL19 TIQLIQNHFV29 DEYDPTIEDS39 YRKQVVIDGE49 TCLLDILDTA 59 GQEEAMRDQY71 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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
|
GLY10
4.978
ALA11
3.939
ARG12
2.788
GLY13
3.137
VAL14
3.183
GLY15
2.967
LYS16
2.690
SER17
2.889
ALA18
2.718
LEU19
4.965
PHE28
3.414
VAL29
2.680
ASP30
2.946
GLU31
3.501
TYR32
2.489
ASP33
4.449
|
|||||
PDB ID: 5WHE KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 | ||||||
Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [7] |
PDB Sequence |
TEYKLVVVGA
11 VGVGKSALTI21 QLIQNHFVDE31 YDPEPSYRKQ43 VVIDGETCLL53 DILDTAGQEE 63 YSAMRDQYMR73 TGEGFLCVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKCDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKH
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;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:57 or .A:58 or .A:59 or .A:60 or .A:61 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
4.039
VAL12
3.315
GLY13
3.284
VAL14
3.328
GLY15
3.096
LYS16
2.694
SER17
3.023
ALA18
2.827
PHE28
3.266
ASP57
4.637
THR58
4.568
|
|||||
PDB ID: 6XI7 Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I) | ||||||
Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [8] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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
|
GLY10
4.873
ALA11
3.820
GLY12
3.486
GLY13
3.071
VAL14
3.190
GLY15
3.059
LYS16
2.733
SER17
2.896
ALA18
2.766
PHE28
3.270
VAL29
2.811
ASP30
3.005
GLU31
3.274
TYR32
3.837
ASP33
4.372
|
|||||
PDB ID: 6OB3 Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1) | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [9] |
PDB Sequence |
GMTEYKLVVV
9 GAGDVGKSAL19 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.776
ALA11
3.701
GLY12
3.535
ASP13
3.160
VAL14
3.303
GLY15
3.017
LYS16
2.697
SER17
2.928
ALA18
2.741
PHE28
3.249
VAL29
3.267
ASP30
3.310
GLU31
4.128
ASP33
4.547
PRO34
3.525
|
|||||
PDB ID: 6XGV Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | ||||||
Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | Yes | [8] |
PDB Sequence |
MTEYKLVVVG
10 AGDVGKSALT20 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.993
ALA11
3.914
GLY12
3.700
ASP13
3.054
VAL14
3.431
GLY15
3.075
LYS16
2.835
SER17
2.992
ALA18
2.708
LEU19
4.956
PHE28
3.408
VAL29
3.070
ASP30
2.753
GLU31
4.145
TYR32
4.205
ASP33
4.243
|
|||||
PDB ID: 7LC1 Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1 | ||||||
Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [10] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIANHFVD30 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.982
ALA11
3.795
GLY12
3.511
GLY13
3.112
VAL14
3.205
GLY15
3.060
LYS16
2.695
SER17
2.618
ALA18
2.709
PHE28
3.213
VAL29
2.881
ASP30
2.924
GLU31
3.704
TYR32
3.147
ASP33
4.309
PRO34
3.477
|
|||||
PDB ID: 6V6F Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex | ||||||
Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | Yes | [11] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 LEEYSAMRDQ70 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .C:11 or .C:12 or .C:13 or .C:14 or .C:15 or .C:16 or .C:17 or .C:18 or .C:28 or .C:29 or .C:30 or .C:31 or .C:32 or .C:33 or .C:34 or .C:35 or .C:57 or .C:58 or .C:59 or .C:60 or .C:61 or .C:116 or .C:117 or .C:118 or .C:119 or .C:120 or .C:145 or .C:146 or .C:147; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
4.105
GLY12
3.836
GLY13
3.124
VAL14
3.306
GLY15
2.997
LYS16
2.695
SER17
3.068
ALA18
2.822
PHE28
3.364
VAL29
3.375
ASP30
3.491
GLU31
3.351
TYR32
3.675
ASP33
4.115
PRO34
3.413
|
|||||
PDB ID: 6XGU Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | ||||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [8] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 REEYSAMRDQ70 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.878
ALA11
3.746
GLY12
3.496
GLY13
3.050
VAL14
3.185
GLY15
3.016
LYS16
2.639
SER17
2.882
ALA18
2.618
LEU19
4.897
PHE28
3.889
VAL29
2.955
ASP30
3.159
GLU31
3.256
TYR32
4.548
ASP33
4.323
|
|||||
PDB ID: 7LC2 Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1 | ||||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [10] |
PDB Sequence |
GTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 REEYSARDQY71 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPVL 113 VGNKCDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKH
|
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
3.795
GLY12
3.694
GLY13
2.931
VAL14
3.207
GLY15
2.961
LYS16
2.813
SER17
2.599
ALA18
2.738
PHE28
3.173
VAL29
3.200
ASP30
2.724
GLU31
4.726
TYR32
3.028
ASP33
4.483
PRO34
3.789
|
|||||
PDB ID: 6XHA Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | ||||||
Method | X-ray diffraction | Resolution | 2.87 Å | Mutation | Yes | [8] |
PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 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 .GNP or .GNP2 or .GNP3 or :3GNP;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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:116 or .A:117 or .A:118 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
|
ALA11
3.789
VAL12
3.888
GLY13
3.415
VAL14
3.300
GLY15
2.852
LYS16
2.666
SER17
2.718
ALA18
2.802
LEU19
4.881
PHE28
3.699
VAL29
3.080
ASP30
2.779
GLU31
4.656
TYR32
2.514
ASP33
4.005
|
|||||
PDB ID: 6WGN Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 | ||||||
Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [12] |
PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 IQLIQNHFVD30 EYDPDSYRKQ43 VVIDGETSLL53 DILDTAGQEE 63 YSAMRDQYMR73 TGEGFLLVFA83 INNTKSFEDI93 HHYREQIKRV103 KDSEDVPMVL 113 VGNKSDLPSR123 TVDTKQAQDL133 ARSYGIPFIE143 TSAKTRQGVD153 DAFYTLVREI 163 RKHKEK
|
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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 .GNP or .GNP2 or .GNP3 or :3GNP;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:33 or .A:34 or .A:57 or .A:58 or .A:59 or .A:60 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
4.070
ASP12
3.463
GLY13
3.222
VAL14
3.220
GLY15
3.084
LYS16
2.653
SER17
2.816
ALA18
2.688
PHE28
3.355
VAL29
2.497
ASP30
3.301
GLU31
3.593
TYR32
2.716
ASP33
4.312
|
|||||
PDB ID: 6O46 Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [13] |
PDB Sequence |
GMTEYKLVVV
9 GAGGVGKSAL19 TIQLIQNHFV29 DEYDRTIEDS39 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:34 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.856
ALA11
3.970
GLY12
3.423
GLY13
3.157
VAL14
3.254
GLY15
3.099
LYS16
2.688
SER17
2.942
ALA18
2.821
PHE28
3.328
VAL29
2.839
ASP30
2.977
ARG34
4.197
ASP57
4.519
|
|||||
PDB ID: 6MTA KRAS P34R mutant structure in complex with GTP analogue | ||||||
Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [13] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDRTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 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
|
GLY10
4.811
ALA11
3.979
GLY12
3.363
GLY13
3.006
VAL14
3.345
GLY15
3.155
LYS16
2.623
SER17
2.909
ALA18
2.802
PHE28
3.279
VAL29
3.000
ASP30
2.935
GLU31
3.946
TYR32
2.645
ASP33
4.386
|
|||||
PDB ID: 6O36 Crystal structure of human KRAS P34R mutant in complex with GNP | ||||||
Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [13] |
PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDRTIEDSY40 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.902
ALA11
3.963
GLY12
3.447
GLY13
3.209
VAL14
3.472
GLY15
3.136
LYS16
2.670
SER17
2.870
ALA18
2.785
PHE28
3.198
VAL29
2.959
ASP30
2.974
ASP57
4.585
|
|||||
PDB ID: 5WPM KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) | ||||||
Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [7] |
PDB Sequence |
MTEYKLVVVG
10 AVGVGKSALT20 IQLIQNHFDS39 YRKQVVIDGE49 TCLLDILDTA59 GQEEYSAMRD 69 QYMRTGEGFL79 CVFAINNTKS89 FEDIHHYREQ99 IKRVKDDVPM111 VLVGNKCDLP 121 SRTVDTKQAQ131 DLARSYGIPF141 IETSAKTRQG151 VDDAFYTLVR161 EIR |
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:57 or .A:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.642
ALA11
3.832
VAL12
3.588
GLY13
3.224
VAL14
3.462
GLY15
3.057
LYS16
2.560
SER17
2.830
ALA18
2.751
PHE28
3.223
ASP57
4.478
THR58
4.661
|
|||||
PDB ID: 5UFQ K-RasG12D(GNP)/R11.1.6 complex | ||||||
Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [14] |
PDB Sequence |
MTEYKLVVVG
10 ADGVGKSALT20 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 .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .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:58 or .A:59 or .A:60 or .A:61 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
|
GLY10
4.980
ALA11
3.768
ASP12
2.744
GLY13
3.025
VAL14
3.329
GLY15
3.171
LYS16
2.518
SER17
2.983
ALA18
2.915
PHE28
3.191
VAL29
2.476
ASP30
3.216
GLU31
3.516
THR35
2.736
|
|||||
PDB ID: 6E6F KRAS G13D bound to GppNHp (K13GNP) | ||||||
Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [15] |
PDB Sequence |
MTEYKLVVVG
10 AGDVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTYM 72 RTGEGFLCVF82 AINNTKSFED92 IHHYREQIKR102 VKDSEDVPMV112 LVGNKCDLPS 122 RTVDTKQAQD132 LARSYGIPFI142 ETSAKTRQGV152 DDAFYTLVRE162 IRKH |
|||||
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;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: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; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA11
3.953
GLY12
3.597
ASP13
2.949
VAL14
3.456
GLY15
3.007
LYS16
2.721
SER17
2.955
ALA18
2.541
LEU19
4.708
PHE28
3.322
VAL29
3.508
ASP30
2.688
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun. 2018 Aug 9;9(1):3169. | ||||
REF 2 | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell. 2017 Feb 23;168(5):878-889.e29. | ||||
REF 3 | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol. 2018 Nov 15;25(11):1327-1336.e4. | ||||
REF 4 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc Natl Acad Sci U S A. 2019 Feb 12;116(7):2545-2550. | ||||
REF 5 | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions. Elife. 2018 Jul 10;7:e37122. | ||||
REF 6 | Atypical KRAS(G12R) Mutant Is Impaired in PI3K Signaling and Macropinocytosis in Pancreatic Cancer. Cancer Discov. 2020 Jan;10(1):104-123. | ||||
REF 7 | Exceptionally high-affinity Ras binders that remodel its effector domain. J Biol Chem. 2018 Mar 2;293(9):3265-3280. | ||||
REF 8 | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun. 2021 Feb 19;12(1):1176. | ||||
REF 9 | KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis. Proc Natl Acad Sci U S A. 2019 Oct 29;116(44):22122-22131. | ||||
REF 10 | RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity. Proc Natl Acad Sci U S A. 2021 Aug 17;118(33):e2103261118. | ||||
REF 11 | Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR. Cell Rep. 2020 Jul 21;32(3):107909. | ||||
REF 12 | GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf. ACS Cent Sci. 2020 Oct 28;6(10):1753-1761. | ||||
REF 13 | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRAS(P34R). Birth Defects Res. 2020 Jun;112(10):708-717. | ||||
REF 14 | An engineered protein antagonist of K-Ras/B-Raf interaction. Sci Rep. 2017 Jul 19;7(1):5831. | ||||
REF 15 | Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep. 2019 Aug 6;28(6):1538-1550.e7. |
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