Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03500 | Target Info | |||
| Target Name | Matrix metalloproteinase-12 (MMP-12) | ||||
| Synonyms | Macrophage metalloelastase; Macrophage elastase; MME; ME; HME | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MMP12 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Acetohydroxamic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | PDB:1Y93 | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Batimastat | Ligand Info | |||||
| Structure Description | Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution | PDB:1JK3 | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHAIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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| Ligand Name: N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine | Ligand Info | |||||
| Structure Description | Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor | PDB:2K2G | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [3] |
| PDB Sequence |
MFREMPGGPV
108 WRKHYITYRI118 NNYTPDMNRE128 DVDYAIRKAF138 QVWSNVTPLK148 FSKINTGMAD 158 ILVVFARGAH168 GDFHAFDGKG178 GILAHAFGPG188 SGIGGDAHFD198 EDEFWTTHSG 208 GTNLFLTAVH218 EIGHSLGLGH228 SSDPKAVMFP238 TYKYVDINTF248 RLSADDIRGI 258 QSLYG
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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 .DSV or .DSV2 or .DSV3 or :3DSV;style chemicals stick;color identity;select .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:210 or .A:211 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE180
3.120
LEU181
2.162
ALA182
2.204
HIS183
2.718
ALA184
3.896
THR210
3.430
ASN211
3.471
LEU214
2.160
THR215
2.819
HIS218
2.432
GLU219
3.897
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| Ligand Name: MMI270 | Ligand Info | |||||
| Structure Description | Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. | PDB:2W0D | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHAIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYGH |
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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 .CGS or .CGS2 or .CGS3 or :3CGS;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: RXP470.1 | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | PDB:4GQL | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [5] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .R47 or .R472 or .R473 or :3R47;style chemicals stick;color identity;select .A:172 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:201 or .A:210 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS172
3.521
GLY178
2.731
GLY179
2.166
ILE180
2.560
LEU181
1.992
ALA182
2.487
HIS183
2.554
ALA184
4.126
GLU201
4.480
THR210
4.038
LEU214
2.518
THR215
2.358
HIS218
2.987
GLU219
2.506
HIS222
2.895
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: ARP100 | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | PDB:4H76 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [6] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .10B or .10B2 or .10B3 or :310B;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3ts4 | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with L-glutamate motif inhibitor | PDB:3TS4 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [7] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .EEG or .EEG2 or .EEG3 or :3EEG;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY179
3.936
ILE180
3.537
LEU181
2.740
ALA182
3.216
HIS183
3.661
LEU214
3.619
THR215
4.038
HIS218
3.190
GLU219
2.580
HIS222
3.329
HIS228
3.038
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: EEA | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with non-zinc chelating inhibitor | PDB:3LIL | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [8] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .EEA or .EEA2 or .EEA3 or :3EEA;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY178
3.502
GLY179
2.878
ILE180
3.854
LEU181
2.897
ALA182
3.768
LEU214
3.757
THR215
3.256
HIS218
3.457
GLU219
3.381
PRO232
3.447
LYS233
3.139
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| Ligand Name: EEC | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with non-zinc chelating inhibitor | PDB:3LIR | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [8] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .EEC or .EEC2 or .EEC3 or :3EEC;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:201 or .A:210 or .A:214 or .A:215 or .A:218 or .A:219 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CP-271485 | Ligand Info | |||||
| Structure Description | Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | PDB:1UTT | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [9] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYGD |
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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 .CP8 or .CP82 or .CP83 or :3CP8;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:228 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PF-00356231 | Ligand Info | |||||
| Structure Description | Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid | PDB:1UTZ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYGD |
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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 .PF3 or .PF32 or .PF33 or :3PF3;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:229 or .A:230 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY179
3.413
ILE180
3.314
LEU181
2.761
ALA182
3.688
LEU214
3.977
THR215
4.036
HIS218
3.295
GLU219
3.319
SER229
4.679
SER230
3.180
PRO232
3.757
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| Ligand Name: 2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide | PDB:3F17 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HS4 or .HS42 or .HS43 or :3HS4;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-oxo-2-(phenylsulfonylamino)ethanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide | PDB:3F1A | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HS7 or .HS72 or .HS73 or :3HS7;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-hydroxy-2-(4-methoxyphenylsulfonamido)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor paramethoxy-sulfonyl-glycine hydroxamate | PDB:3LK8 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .Z79 or .Z792 or .Z793 or :3Z79;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(biphenyl-4-ylsulfonyl)-D-leucine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid | PDB:3EHX | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [11] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .BDL or .BDL2 or .BDL3 or :3BDL;style chemicals stick;color identity;select .A:172 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS172
4.846
GLY179
4.492
ILE180
2.949
LEU181
2.723
ALA182
3.174
HIS183
3.565
LEU214
3.765
THR215
4.228
HIS218
3.300
GLU219
2.504
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| Ligand Name: N-[(4-methoxyphenyl)sulfonyl]-D-alanine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid | PDB:3EHY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [11] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .TBL or .TBL2 or .TBL3 or :3TBL;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3r)-3-{4-[(4-Chlorophenyl)ethynyl]benzoyl}nonanoic Acid | Ligand Info | |||||
| Structure Description | Solution structure of human macrophage elastase (MMP-12) catalytic domain complexed with a gamma-keto butanoic acid inhibitor | PDB:2Z2D | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [12] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HSI or .HSI2 or .HSI3 or :3HSI;style chemicals stick;color identity;select .A:171 or .A:174 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:233 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:247 or .A:248 or .A:249; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE171
2.679
PHE174
4.670
ILE180
2.228
LEU181
1.581
ALA182
1.903
HIS183
3.021
ALA184
4.140
LEU214
2.284
THR215
2.570
HIS218
2.494
GLU219
2.327
HIS222
3.446
LYS233
5.000
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| Ligand Name: 1,2-Dimyristoyl-sn-glycero-3-phosphocholine | Ligand Info | |||||
| Structure Description | Membrane Bilayer complex with Matrix Metalloproteinase-12 at its Alpha-face | PDB:2MLR | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [13] |
| PDB Sequence |
FREMPGGPVW
109 RKHYITYRIN119 NYTPDMNRED129 VDYAIRKAFQ139 VWSNVTPLKF149 SKINTGMADI 159 LVVFARGAHG169 DFHAFDGKGG179 ILAHAFGPGS189 GIGGDAHFDE199 DEFWTTHSGG 209 TNLFLTAVHA219 IGHSLGLGHS229 SDPKAVMFPT239 YKYVDINTFR249 LSADDIRGIQ 259 SLYG
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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 .PX4 or .PX42 or .PX43 or :3PX4;style chemicals stick;color identity;select .A:129 or .A:132 or .A:177 or .A:178 or .A:179 or .A:205 or .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:211 or .A:231 or .A:232 or .A:233 or .A:237 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:249 or .A:256; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP129
4.880
TYR132
4.015
LYS177
1.807
GLY178
2.683
GLY179
3.669
THR205
3.460
HIS206
1.917
SER207
1.682
GLY208
2.633
GLY209
3.784
THR210
4.439
ASN211
4.662
ASP231
4.699
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4r,4's)-4,4'-Diphenyl-4,4'-Biimidazolidine-2,2',5,5'-Tetrone | Ligand Info | |||||
| Structure Description | MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin | PDB:3UVC | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [14] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHAIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .0D2 or .0D22 or .0D23 or :30D2;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S)-5-(4'-Acetylbiphenyl-4-YL)-3-hydroxypentanoic acid | Ligand Info | |||||
| Structure Description | MMP12 complex with a beta hydroxy carboxylic acid | PDB:2WO9 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [15] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYGDP 265 KE
|
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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 .068 or .0682 or .0683 or :3068;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248 or .A:249; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
4.314
ILE180
3.692
LEU181
2.822
ALA182
2.980
HIS183
4.257
LEU214
3.600
THR215
3.874
HIS218
3.310
GLU219
2.630
HIS222
3.550
HIS228
3.067
PRO232
4.970
|
|||||
| Ligand Name: (3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid | Ligand Info | |||||
| Structure Description | MMP12 complex with a beta hydroxy carboxylic acid | PDB:2WO8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [15] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDFHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYGD 264 PKEN
|
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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 .077 or .0772 or .0773 or :3077;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
4.475
ILE180
3.662
LEU181
2.976
ALA182
2.935
HIS183
4.545
LEU214
3.900
THR215
3.898
HIS218
3.195
GLU219
3.213
HIS222
3.024
|
|||||
| Ligand Name: (3S)-5-(9H-Fluoren-2-YL)-3-hydroxypentanoic acid | Ligand Info | |||||
| Structure Description | MMP12 complex with a beta hydroxy carboxylic acid | PDB:2WOA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [15] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDFHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYGD 264 PKE
|
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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 .576 or .5762 or .5763 or :3576;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
4.192
ILE180
3.842
LEU181
2.978
ALA182
3.008
HIS183
4.147
LEU214
3.645
THR215
4.004
HIS218
3.213
GLU219
2.760
HIS222
3.677
|
|||||
| Ligand Name: 2-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-YL)-4-oxobutanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | PDB:1ROS | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDFHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYGD |
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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 .DEO or .DEO2 or .DEO3 or :3DEO;style chemicals stick;color identity;select .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:226 or .A:227 or .A:228 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE180
3.910
LEU181
2.829
ALA182
2.856
HIS183
3.246
ALA184
3.088
LEU214
3.903
THR215
4.001
HIS218
3.288
GLU219
2.586
HIS222
3.162
LEU226
4.552
GLY227
4.624
|
|||||
| Ligand Name: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid | Ligand Info | |||||
| Structure Description | Crystal structure of MMP12 in complex with inhibitor BE7. | PDB:6EKN | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [16] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .B9N or .B9N2 or .B9N3 or :3B9N;style chemicals stick;color identity;select .A:172 or .A:173 or .A:174 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS172
4.676
ALA173
4.926
PHE174
4.568
GLY179
3.625
ILE180
3.454
LEU181
2.867
ALA182
3.157
HIS183
2.770
ALA184
4.946
LEU214
3.544
THR215
4.015
|
|||||
| Ligand Name: N-[(2r)-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}-4-(Hydroxyamino)-4-Oxobutanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamine | Ligand Info | |||||
| Structure Description | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | PDB:5D2B | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [17] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .56O or .56O2 or .56O3 or :356O;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:201 or .A:210 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248 or .A:249; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY178
3.265
GLY179
3.432
ILE180
3.407
LEU181
2.758
ALA182
3.027
HIS183
4.031
ALA184
4.576
GLU201
4.486
THR210
4.389
LEU214
4.005
THR215
3.257
HIS218
2.981
GLU219
2.784
HIS222
2.864
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-N,3-N-bis[4-[[(4R)-4-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]amino]-4-oxobutyl]benzene-1,3-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | PDB:7OVY | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | Yes | [18] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .2IF or .2IF2 or .2IF3 or :32IF;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:186 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
3.777
ILE180
3.930
LEU181
2.920
ALA182
2.954
HIS183
4.112
ALA184
4.530
GLY186
4.662
LEU214
3.528
THR215
4.265
HIS218
3.116
GLU219
2.663
HIS222
3.016
HIS228
2.828
|
|||||
| Ligand Name: R-1,2-Propanediol | Ligand Info | |||||
| Structure Description | Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | PDB:7OVY | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | Yes | [18] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .PGR or .PGR2 or .PGR3 or :3PGR;style chemicals stick;color identity;select .A:105 or .A:106 or .A:107 or .A:225 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (R)-4-(((S)-1-(((S)-1-Amino-4-Carboxy-1-Oxobutan-2-Yl)amino)-4-Carboxy-1-Oxobutan-2-Yl)amino)-3-((3-(3'-Chloro-[1,1'-Biphenyl]-4-Yl)isoxazol-5-Yl)methyl)-4-Oxobutanoate | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate inhibitor related to RXP470 | PDB:5CXA | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [17] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYAYVD244 INTFRLSADD254 IRGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55L or .55L2 or .55L3 or :355L;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248 or .A:249; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY178
3.311
GLY179
2.844
ILE180
3.780
LEU181
2.792
ALA182
3.348
HIS183
4.178
ALA184
4.947
LEU214
4.074
THR215
3.395
HIS218
3.231
GLU219
2.652
HIS222
3.511
HIS228
2.979
|
|||||
| Ligand Name: 2-[2-[4-(4-Methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | PDB:6EOX | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [16] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BKW or .BKW2 or .BKW3 or :3BKW;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-Biphenyl-4-Ylpropanoyl)-L-Alpha-Glutamyl-L-Alpha-Glutamyl-Amide | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with non-zinc chelating inhibitor | PDB:3LJG | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [8] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EEF or .EEF2 or .EEF3 or :3EEF;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:209 or .A:214 or .A:215 or .A:218 or .A:219 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1s,5s,7r)-N~7~-(Biphenyl-4-Ylmethyl)-N~3~-Hydroxy-6,8-Dioxa-3-Azabicyclo[3.2.1]octane-3,7-Dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor | PDB:2HU6 | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | Yes | [19] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .37A or .37A2 or .37A3 or :337A;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | PDB:1RMZ | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [1] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NGH or .NGH2 or .NGH3 or :3NGH;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid | Ligand Info | |||||
| Structure Description | Crystal structure of MMP12 in complex with inhibitor BE4. | PDB:6ELA | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [16] |
| PDB Sequence |
PVWRKHYITY
116 RINNYTPDMN126 REDVDYAIRK136 AFQVWSNVTP146 LKFSKINTGM156 ADILVVFARG 166 AHGDDHAFDG176 KGGILAHAFG186 PGSGIGGDAH196 FDEDEFWTTH206 SGGTNLFLTA 216 VHEIGHSLGL226 GHSSDPKAVM236 FPTYAYVDIN246 TFRLSADDIR256 GIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B9Z or .B9Z2 or .B9Z3 or :3B9Z;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
3.644
ILE180
3.815
LEU181
3.744
ALA182
3.217
HIS183
4.069
ALA184
4.933
LEU214
3.788
THR215
3.751
HIS218
3.339
GLU219
2.671
HIS222
3.263
|
|||||
| Ligand Name: N-{(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)methyl]propanoyl}-L-Alpha-Glutamyl-L-Alpha-Glutamine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | PDB:4GR3 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [5] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .R45 or .R452 or .R453 or :3R45;style chemicals stick;color identity;select .A:172 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:210 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS172
3.540
GLY178
3.788
GLY179
2.952
ILE180
3.466
LEU181
2.898
ALA182
3.412
HIS183
3.514
ALA184
4.646
THR210
4.749
LEU214
3.945
THR215
3.349
HIS218
3.404
|
|||||
| Ligand Name: N-[(2s)-3-[(R)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}propanoyl]-L-Alanyl-L-Alaninamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | PDB:4GR0 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .R4B or .R4B2 or .R4B3 or :3R4B;style chemicals stick;color identity;select .A:172 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248 or .A:249; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS172
4.140
GLY178
4.961
GLY179
2.899
ILE180
3.655
LEU181
2.797
ALA182
3.297
HIS183
3.553
ALA184
4.605
LEU214
3.910
THR215
3.412
HIS218
3.308
GLU219
2.659
HIS222
3.488
|
|||||
| Ligand Name: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide | Ligand Info | |||||
| Structure Description | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | PDB:6ENM | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [16] |
| PDB Sequence |
HYITYRINNY
121 TPDMNREDVD131 YAIRKAFQVW141 SNVTPLKFSK151 INTGMADILV161 VFARGAHGDD 171 HAFDGKGGIL181 AHAFGPGSGI191 GGDAHFDEDE201 FWTTHSGGTN211 LFLTAVHEIG 221 HSLGLGHSSD231 PKAVMFPTYK241 YVDINTFRLS251 ADDIRGIQSL261 YG |
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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 .LPW or .LPW2 or .LPW3 or :3LPW;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(Benzoylamino)ethyl]-N-(Biphenyl-4-Ylsulfonyl)-D-Valine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | PDB:4H84 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [6] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .Y38 or .Y382 or .Y383 or :3Y38;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~2~-[4-(4-Phenylthiophen-2-Yl)benzoyl]-L-Alpha-Glutamine | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with L-glutamate motif inhibitor | PDB:4EFS | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [7] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .E37 or .E372 or .E373 or :3E37;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY179
3.923
ILE180
3.368
LEU181
2.981
ALA182
3.180
HIS183
4.066
ALA184
4.892
LEU214
3.607
THR215
3.934
HIS218
3.523
GLU219
2.668
HIS222
3.332
HIS228
3.080
|
|||||
| Ligand Name: (4r,22r)-5,21-Dioxo-4,22-Bis({3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}amino)-10,13,16-Trioxa-6,20-Diazapentacosane-1,25-Dioic Acid | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor | PDB:4I03 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [6] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHAIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .L88 or .L882 or .L883 or :3L88;style chemicals stick;color identity;select .A:175 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:222 or .A:228 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP175
4.268
GLY179
3.231
ILE180
3.184
LEU181
2.713
ALA182
3.051
HIS183
4.203
LEU214
3.779
THR215
3.995
HIS218
3.272
HIS222
3.119
HIS228
3.232
|
|||||
| Ligand Name: (2E)-2-[(Z,5Z)-5-[1,1-dimethyl-3-[5-oxo-5-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]pentyl]-6,8-disulfobenzo[e]indol-2-ylidene]pent-3-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | PDB:5L7F | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [20] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYAYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .6PJ or .6PJ2 or .6PJ3 or :36PJ;style chemicals stick;color identity;select .A:239; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(3-hydroxy-2-oxopyridin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide | Ligand Info | |||||
| Structure Description | Human MMP12 catalytic domain in complex with AP280 | PDB:6RD0 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [21] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .K0Q or .K0Q2 or .K0Q3 or :3K0Q;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(Acetylamino)-4,5-Bis(Acetyloxy)-6-[(Acetyloxy)methyl]tetrahydro-2h-Pyran-2-Yl}oxy)propyl]-1h-1,2,3-Triazol-4-Yl}methyl)(Biphenyl-4-Ylsulfonyl)amino]-3-Methylbutanoic Acid (Non-Preferred Name) | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | PDB:5I43 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [22] |
| PDB Sequence |
PVWRKHYITY
116 RINNYTPDMN126 REDVDYAIRK136 AFQVWSNVTP146 LKFSKINTGM156 ADILVVFARG 166 AHGDDHAFDG176 KGGILAHAFG186 PGSGIGGDAH196 FDEDEFWTTH206 SGGTNLFLTA 216 VHQIGHSLGL226 GHSSDPKAVM236 FPTYKYVDIN246 TFRLSADDIR256 GIQSLYG |
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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 .67M or .67M2 or .67M3 or :367M;style chemicals stick;color identity;select .A:175 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP175
4.873
LYS177
4.614
GLY178
3.672
GLY179
2.938
ILE180
3.383
LEU181
2.853
ALA182
3.061
HIS183
3.432
ALA184
4.532
LEU214
3.624
THR215
3.881
|
|||||
| Ligand Name: N~2~-{3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}-L-Glutaminyl-L-Alpha-Glutamine | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with L-glutamate motif inhibitor | PDB:3TSK | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [7] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .QEG or .QEG2 or .QEG3 or :3QEG;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:232 or .A:233 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:248; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY178
3.768
GLY179
3.084
ILE180
3.665
LEU181
2.914
ALA182
3.780
LEU214
3.972
THR215
3.658
HIS218
3.161
GLU219
3.387
PRO232
3.445
LYS233
3.401
|
|||||
| Ligand Name: N-({1-[2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl]-1h-1,2,3-Triazol-4-Yl}methyl)-N-[([1,1'-Biphenyl]-4-Yl)sulfonyl]-D-Valine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28). | PDB:5I4O | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [22] |
| PDB Sequence |
VWRKHYITYR
117 INNYTPDMNR127 EDVDYAIRKA137 FQVWSNVTPL147 KFSKINTGMA157 DILVVFARGA 167 HGDDHAFDGK177 GGILAHAFGP187 GSGIGGDAHF197 DEDEFWTTHS207 GGTNLFLTAV 217 HQIGHSLGLG227 HSSDPKAVMF237 PTYKYVDINT247 FRLSADDIRG257 IQSLYG |
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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 .V28 or .V282 or .V283 or :3V28;style chemicals stick;color identity;select .A:175 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(Acetylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl]carbamothioyl}amino)ethyl](Biphenyl-4-Ylsulfonyl)amino}-3-Methylbutanoic Acid (Non-Preferred Name) | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31). | PDB:5I3M | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [22] |
| PDB Sequence |
PVWRKHYITY
116 RINNYTPDMN126 REDVDYAIRK136 AFQVWSNVTP146 LKFSKINTGM156 ADILVVFARG 166 AHGDDHAFDG176 KGGILAHAFG186 PGSGIGGDAH196 FDEDEFWTTH206 SGGTNLFLTA 216 VHQIGHSLGL226 GHSSDPKAVM236 FPTYKYVDIN246 TFRLSADDIR256 GIQSLYG |
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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 .67F or .67F2 or .67F3 or :367F;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:227 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide | Ligand Info | |||||
| Structure Description | Human MMP12 (catalytic domain) in complex with AP316 | PDB:6RLY | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [21] |
| PDB Sequence |
MGPVWRKHYI
114 TYRINNYTPD124 MNREDVDYAI134 RKAFQVWSNV144 TPLKFSKINT154 GMADILVVFA 164 RGAHGDDHAF174 DGKGGILAHA184 FGPGSGIGGD194 AHFDEDEFWT204 THSGGTNLFL 214 TAVHEIGHSL224 GLGHSSDPKA234 VMFPTYKYVD244 INTFRLSADD254 IRGIQSLYG |
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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 .K8T or .K8T2 or .K8T3 or :3K8T;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:243 or .A:248; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[([1,1'-Biphenyl]-4-Yl)sulfonyl]-N-({1-[3,4,6-Tri-O-Acetyl-2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl]-1h-1,2,3-Triazol-4-Yl}methyl)-D-Valine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | PDB:5I2Z | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [22] |
| PDB Sequence |
PVWRKHYITY
116 RINNYTPDMN126 REDVDYAIRK136 AFQVWSNVTP146 LKFSKINTGM156 ADILVVFARG 166 AHGDDHAFDG176 KGGILAHAFG186 PGSGIGGDAH196 FDEDEFWTTH206 SGGTNLFLTA 216 VHQIGHSLGL226 GHSSDPKAVM236 FPTYKYVDIN246 TFRLSADDIR256 GIQSLYG |
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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 .V24 or .V242 or .V243 or :3V24;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | PDB:5I0L | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .H27 or .H272 or .H273 or :3H27;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(4-Fluorophenyl)sulfonyl-(2-Hydroxyethyl)amino]-N-Oxo-Ethanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | PDB:3F18 | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HS5 or .HS52 or .HS53 or :3HS5;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | PDB:3F19 | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HS6 or .HS62 or .HS63 or :3HS6;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide | PDB:3F16 | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HS3 or .HS32 or .HS33 or :3HS3;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N~2~-(Biphenyl-4-Ylsulfonyl)-N-Hydroxy-N~2~-(2-Hydroxyethyl)glycinamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide | PDB:3N2V | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [23] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .JT5 or .JT52 or .JT53 or :3JT5;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human mmp12 complexed with the inhibitor (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | PDB:3F15 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .HS1 or .HS12 or .HS13 or :3HS1;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid | Ligand Info | |||||
| Structure Description | Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate | PDB:5N5J | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [24] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .8NT or .8NT2 or .8NT3 or :38NT;style chemicals stick;color identity;select .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Methoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide | PDB:3LKA | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .M4S or .M4S2 or .M4S3 or :3M4S;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide | PDB:3NX7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [10] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .NHK or .NHK2 or .NHK3 or :3NHK;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Hydroxy-2-{[(4-Methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-Trihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl]oxy}ethyl)amino}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide | PDB:3N2U | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [23] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .D3X or .D3X2 or .D3X3 or :3D3X;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-Hydroxy-N~2~-[(2-Phenylethyl)sulfonyl]glycinamide | Ligand Info | |||||
| Structure Description | Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide | PDB:3RTS | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [26] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .KLG or .KLG2 or .KLG3 or :3KLG;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Hydroxy-1-[(2-Phenylethyl)sulfonyl]-D-Prolinamide | Ligand Info | |||||
| Structure Description | Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide | PDB:3RTT | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [27] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KLH or .KLH2 or .KLH3 or :3KLH;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Hydroxy-N~2~-{[2-(4-Methoxyphenyl)ethyl]sulfonyl}glycinamide | Ligand Info | |||||
| Structure Description | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | PDB:4GUY | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [28] |
| PDB Sequence |
GPVWRKHYIT
115 YRINNYTPDM125 NREDVDYAIR135 KAFQVWSNVT145 PLKFSKINTG155 MADILVVFAR 165 GAHGDDHAFD175 GKGGILAHAF185 GPGSGIGGDA195 HFDEDEFWTT205 HSGGTNLFLT 215 AVHEIGHSLG225 LGHSSDPKAV235 MFPTYKYVDI245 NTFRLSADDI255 RGIQSLYG |
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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 .KLJ or .KLJ2 or .KLJ3 or :3KLJ;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide | Ligand Info | |||||
| Structure Description | Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide | PDB:5N5K | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [24] |
| PDB Sequence |
VWRKHYITYR
117 INNYTPDMNR127 EDVDYAIRKA137 FQVWSNVTPL147 KFSKINTGMA157 DILVVFARGA 167 HGDDHAFDGK177 GGILAHAFGP187 GSGIGGDAHF197 DEDEFWTTHS207 GGTNLFLTAV 217 HEIGHSLGLG227 HSSDPKAVMF237 PTYKYVDINT247 FRLSADDIRG257 IQSLYG |
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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 .8NW or .8NW2 or .8NW3 or :38NW;style chemicals stick;color identity;select .A:179 or .A:180 or .A:181 or .A:182 or .A:214 or .A:215 or .A:218 or .A:219 or .A:228 or .A:234 or .A:235 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-{(2s)-3-[(R)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)methyl]propanoyl}-L-Alanyl-L-Alaninamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | PDB:4GR8 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
KHYITYRINN
120 YTPDMNREDV130 DYAIRKAFQV140 WSNVTPLKFS150 KINTGMADIL160 VVFARGAHGD 170 DHAFDGKGGI180 LAHAFGPGSG190 IGGDAHFDED200 EFWTTHSGGT210 NLFLTAVHEI 220 GHSLGLGHSS230 DPKAVMFPTY240 KYVDINTFRL250 SADDIRGIQS260 LY |
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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 .R4C or .R4C2 or .R4C3 or :3R4C;style chemicals stick;color identity;select .A:172 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:214 or .A:215 or .A:218 or .A:219 or .A:222 or .A:228 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS172
4.811
GLY178
4.354
GLY179
3.087
ILE180
3.792
LEU181
2.857
ALA182
3.308
HIS183
3.575
ALA184
4.783
LEU214
3.988
THR215
3.432
HIS218
3.369
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5334-9. | ||||
| REF 2 | Substrate specificity determinants of human macrophage elastase (MMP-12) based on the 1.1 A crystal structure. J Mol Biol. 2001 Sep 28;312(4):731-42. | ||||
| REF 3 | Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor. J Biomol NMR. 2008 May;41(1):55-60. | ||||
| REF 4 | Does a fast nuclear magnetic resonance spectroscopy- and X-ray crystallography hybrid approach provide reliable structural information of ligand-protein complexes? A case study of metalloproteinases. J Med Chem. 2009 Mar 26;52(6):1712-22. | ||||
| REF 5 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J Med Chem. 2013 Feb 14;56(3):1149-59. | ||||
| REF 6 | Crystallization of bi-functional ligand protein complexes. J Struct Biol. 2013 Jun;182(3):246-54. | ||||
| REF 7 | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J Biol Chem. 2012 Aug 3;287(32):26647-56. | ||||
| REF 8 | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J Biol Chem. 2010 Nov 12;285(46):35900-9. | ||||
| REF 9 | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J Mol Biol. 2004 Aug 20;341(4):1063-76. | ||||
| REF 10 | Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases. J Am Chem Soc. 2007 Mar 7;129(9):2466-75. | ||||
| REF 11 | Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties. Bioconjug Chem. 2009 Apr;20(4):719-27. | ||||
| REF 12 | Solution structure of human macrophage elastase (MMP-12) catalytic domain complexed with a gamma-keto butanoic acid inhibitor | ||||
| REF 13 | Ambidextrous binding of cell and membrane bilayers by soluble matrix metalloproteinase-12. Nat Commun. 2014 Nov 21;5:5552. | ||||
| REF 14 | Characterization of fragments interacting with MMP-12 | ||||
| REF 15 | The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5760-3. | ||||
| REF 16 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J Med Chem. 2018 May 24;61(10):4421-4435. | ||||
| REF 17 | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J Med Chem. 2017 Jan 12;60(1):403-414. | ||||
| REF 18 | Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. ACS Med Chem Lett. 2021 Oct 8;12(11):1787-1793. | ||||
| REF 19 | Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. Bioorg Med Chem. 2006 Nov 15;14(22):7392-403. | ||||
| REF 20 | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug Chem. 2016 Oct 19;27(10):2407-2417. | ||||
| REF 21 | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg Med Chem. 2019 Dec 15;27(24):115177. | ||||
| REF 22 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. ChemMedChem. 2016 Aug 5;11(15):1626-37. | ||||
| REF 23 | Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). Eur J Med Chem. 2010 Dec;45(12):5919-25. | ||||
| REF 24 | Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). J Med Chem. 2017 Nov 9;60(21):9003-9011. | ||||
| REF 25 | Entropic contribution to the linking coefficient in fragment based drug design: a case study. J Med Chem. 2010 May 27;53(10):4285-9. | ||||
| REF 26 | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. | ||||
| REF 27 | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. | ||||
| REF 28 | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. | ||||
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