Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73475 | Target Info | |||
| Target Name | Matrix metalloproteinase-7 (MMP-7) | ||||
| Synonyms | Uterine metalloproteinase; Pump-1 protease; PUMP1; Matrin; Matrilysin; MPSL1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | MMP7 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 1,2-Dimyristoyl-sn-glycero-3-phosphocholine | Ligand Info | |||||
| Structure Description | NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane | PDB:2MZI | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [1] |
| PDB Sequence |
LPQEAGGMSE
9 LQWEQAQDYL19 KRFYLYDSET29 KNANSLEAKL39 KEMQKFFGLP49 ITGMLNSRVI 59 EIMQKPRCGV69 PDVAEYSLFP79 NSPKWTSKVV89 TYRIVSYTRD99 LPHITVDRLV 109 SKALNMWGKE119 IPLHFRKVVW129 GTADIMIGFA139 RGAHGDSYPF149 DGPGNTLAHA 159 FAPGTGLGGD169 AHFDEDERWT179 DGSSLGINFL189 YAATHALGHS199 LGMGHSSDPN 209 AVMYPTYGNG219 DPQNFKLSQD229 DIKGIQKLYG239 KRSNSRKK
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THR85
3.202
SER86
1.723
LYS87
1.627
VAL88
2.815
THR90
3.088
TYR91
3.224
ARG92
1.627
ILE93
3.841
VAL94
2.812
TYR96
3.561
ASP99
3.204
LEU100
3.172
PRO101
2.671
HIS102
2.418
ILE103
2.698
THR104
3.416
ASP106
3.096
ARG107
1.982
SER110
3.215
LYS111
2.451
LEU113
4.611
ASN114
1.936
MET115
3.486
GLY117
2.872
LYS118
1.842
GLU119
4.782
ILE120
3.387
PRO121
4.314
LEU122
3.229
HIS123
2.192
PHE124
1.851
ARG125
1.631
LYS126
1.778
VAL127
3.239
VAL128
2.544
TRP129
1.637
GLY130
2.507
THR131
3.090
ALA132
3.580
ASP133
4.210
MET135
3.906
ARG177
3.172
ASP180
4.104
GLY181
3.325
LEU184
3.983
LEU189
4.096
PRO221
4.580
GLN222
2.730
ASN223
1.867
PHE224
3.030
LYS225
1.669
|
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| Ligand Name: Cholesterol sulfate | Ligand Info | |||||
| Structure Description | NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane | PDB:2MZI | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | Yes | [1] |
| PDB Sequence |
LPQEAGGMSE
9 LQWEQAQDYL19 KRFYLYDSET29 KNANSLEAKL39 KEMQKFFGLP49 ITGMLNSRVI 59 EIMQKPRCGV69 PDVAEYSLFP79 NSPKWTSKVV89 TYRIVSYTRD99 LPHITVDRLV 109 SKALNMWGKE119 IPLHFRKVVW129 GTADIMIGFA139 RGAHGDSYPF149 DGPGNTLAHA 159 FAPGTGLGGD169 AHFDEDERWT179 DGSSLGINFL189 YAATHALGHS199 LGMGHSSDPN 209 AVMYPTYGNG219 DPQNFKLSQD229 DIKGIQKLYG239 KRSNSRKK
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| Ligand Name: N-[(2s)-1-[4-(5-Bromopyridin-2-Yl)piperazin-1-Yl]sulfonyl-5-Pyrimidin-2-Yl-Pentan-2-Yl]-N-Hydroxy-Methanamide | Ligand Info | |||||
| Structure Description | The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger | PDB:2Y6D | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
GYSLFPNSPK
108 WTSKVVTYRI118 VSYTRDLPHI128 TVDRLVSKAL138 NMWGKEIPLH148 FRKVVWGTAD 158 IMIGFARGAH168 GDSYPFDGPG178 NTLAHAFAPG188 TGLGGDAHFD198 EDERWTDGSS 208 LGINFLYAAT218 HELGHSLGMG228 HSSDPNAVMY238 PTYNFKLSQD254 DIKGIQKLYG 264
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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 .TQJ or .TQJ2 or .TQJ3 or :3TQJ;style chemicals stick;color identity;select .A:172 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:215 or .A:216 or .A:219 or .A:220 or .A:223 or .A:229 or .A:235 or .A:236 or .A:238 or .A:239 or .A:240 or .A:241 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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| Ligand Name: (1R)-N,6-Dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide | Ligand Info | |||||
| Structure Description | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | PDB:2DDY | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [3] |
| PDB Sequence |
YSLFPNSPKW
10 TSKVVTYRIV20 SYTRDLPHIT30 VDRLVSKALN40 MWGKEIPLHF50 RKVVWGTADI 60 MIGFARGAHG70 DSYPFDGPGN80 TLAHAFAPGT90 GLGGDAHFDE100 DERWTDGSSL 110 GINFLYAATH120 ELGHSLGMGH130 SSDPNAVMYP140 TYGNGDPQNF150 KLSQDDIKGI 160 QKLYGKRSNS170 RKK
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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 .MDW or .MDW2 or .MDW3 or :3MDW;style chemicals stick;color identity;select .A:73 or .A:75 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:98 or .A:104 or .A:112 or .A:113 or .A:114 or .A:116 or .A:117 or .A:120 or .A:121 or .A:124 or .A:130 or .A:139 or .A:140 or .A:141 or .A:142; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR73
4.307
PHE75
4.919
ASN80
4.014
THR81
2.410
LEU82
1.982
ALA83
2.156
HIS84
2.095
ALA85
3.568
PHE98
4.949
TRP104
2.317
ILE112
2.420
ASN113
3.010
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| Ligand Name: n4-Hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide | Ligand Info | |||||
| Structure Description | MATRILYSIN COMPLEXED WITH HYDROXAMATE INHIBITOR | PDB:1MMQ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
YSLFPNSPKW
109 TSKVVTYRIV119 SYTRDLPHIT129 VDRLVSKALN139 MWGKEIPLHF149 RKVVWGTADI 159 MIGFARGAHG169 DSYPFDGPGN179 TLAHAFAPGT189 GLGGDAHFDE199 DERWTDGSSL 208B GINFLYAATH218 ELGHSLGMGH228 SSDPNAVMYP238 TYGNGDPQNF248 KLSQDDIKGI 258 QKLYGK
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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 .RRS or .RRS2 or .RRS3 or :3RRS;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: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: 5-Methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid | Ligand Info | |||||
| Structure Description | MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR | PDB:1MMP | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
YSLFPNSPKW
109 TSKVVTYRIV119 SYTRDLPHIT129 VDRLVSKALN139 MWGKEIPLHF149 RKVVWGTADI 159 MIGFARGAHG169 DSYPFDGPGN179 TLAHAFAPGT189 GLGGDAHFDE199 DERWTDGSSL 208B GINFLYAATH218 ELGHSLGMGH228 SSDPNAVMYP238 TYGNGDPQNF248 KLSQDDIKGI 258 QKLYGK
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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 .RSS or .RSS2 or .RSS3 or :3RSS;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:214 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine | Ligand Info | |||||
| Structure Description | MATRILYSIN COMPLEXED WITH SULFODIIMINE INHIBITOR | PDB:1MMR | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
YSLFPNSPKW
109 TSKVVTYRIV119 SYTRDLPHIT129 VDRLVSKALN139 MWGKEIPLHF149 RKVVWGTADI 159 MIGFARGAHG169 DSYPFDGPGN179 TLAHAFAPGT189 GLGGDAHFDE199 DERWTDGSSL 208B GINFLYAATH218 ELGHSLGMGH228 SSDPNAVMYP238 TYGNGDPQNF248 KLSQDDIKGI 258 QKLYGKR
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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 .SRS or .SRS2 or .SRS3 or :3SRS;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: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-{[4-Chloro-3-(Trifluoromethyl)phenyl]sulfonyl}-L-Tryptophan | Ligand Info | |||||
| Structure Description | The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger | PDB:2Y6C | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
GYSLFPNSPK
108 WTSKVVTYRI118 VSYTRDLPHI128 TVDRLVSKAL138 NMWGKEIPLH148 FRKVVWGTAD 158 IMIGFARGAH168 GDSYPFDGPG178 NTLAHAFAPG188 TGLGGDAHFD198 EDERWTDGSS 208 LGINFLYAAT218 HELGHSLGMG228 HSSDPNAVMY238 PTYPQNFKLS252 QDDIKGIQKL 262 Y
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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 .TQI or .TQI2 or .TQI3 or :3TQI;style chemicals stick;color identity;select .A:103 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:203 or .A:211 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:223 or .A:229 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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PHE103
3.869
ASN179
4.695
THR180
3.723
LEU181
2.799
ALA182
2.649
HIS183
3.324
ALA184
3.328
TRP203
4.217
ILE211
4.322
TYR215
3.971
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors. Structure. 2015 Nov 3;23(11):2099-110. | ||||
| REF 2 | The discovery of MMP7 inhibitors exploiting a novel selectivity trigger. ChemMedChem. 2011 May 2;6(5):769-73. | ||||
| REF 3 | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | ||||
| REF 4 | Matrilysin-inhibitor complexes: common themes among metalloproteases. Biochemistry. 1995 May 23;34(20):6602-10. | ||||
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