Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52450 | Target Info | |||
| Target Name | Matrix metalloproteinase-1 (MMP-1) | ||||
| Synonyms | Interstitial collagenase; Fibroblast collagenase; CLG | ||||
| Target Type | Successful Target | ||||
| Gene Name | MMP1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: MMI270 | Ligand Info | |||||
| Structure Description | CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE | PDB:3AYK | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [1] |
| PDB Sequence |
PRWEQTHLTY
16 RIENYTPDLP26 RADVDHAIEK36 AFQLWSNVTP46 LTFTKVSEGQ56 ADIMISFVRG 66 DHRDNSPFDG76 PGGNLAHAFQ86 PGPGIGGDAH96 FDEDERWTNN106 FREYNLHRVA 116 AHELGHSLGL126 SHSTDIGALM136 YPSYTFSGDV146 QLAQDDIDGI156 QAIYGRS |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID | Ligand Info | |||||
| Structure Description | 1.56 ANGSTROM STRUCTURE OF MATURE TRUNCATED HUMAN FIBROBLAST COLLAGENASE | PDB:1HFC | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| PDB Sequence |
PRWEQTHLTY
116 RIENYTPDLP126 RADVDHAIEK136 AFQLWSNVTP146 LTFTKVSEGQ156 ADIMISFVRG 166 DHRDNSPFDG176 PGGNLAHAFQ186 PGPGIGGDAH196 FDEDERWTNN206 FREYNLHRVA 216 AHELGHSLGL226 SHSTDIGALM236 YPSYTFSGDV246 QLAQDDIDGI256 QAIYGRS |
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| Ligand Name: RO-314724 | Ligand Info | |||||
| Structure Description | STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR | PDB:2TCL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
LTEGNPRWEQ
11 THLTYRIENY21 TPDLPRADVD31 HAIEKAFQLW41 SNVTPLTFTK51 VSEGQADIMI 61 SFVRGDHRDN71 SPFDGPGGNL81 AHAFQPGPGI91 GGDAHFDEDE101 RWTNNFREYN 111 LHRVAAHELG121 HSLGLSHSTD131 IGALMYPSYT141 FSGDVQLAQD151 DIDGIQAIYG 161 RSQ
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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 .RO4 or .RO42 or .RO43 or :3RO4;style chemicals stick;color identity;select .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:110 or .A:115 or .A:118 or .A:119 or .A:122 or .A:128 or .A:137 or .A:138 or .A:139 or .A:140; 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-[(1s)-3-{[(Benzyloxy)carbonyl]amino}-1-Carboxypropyl]-L-Leucyl-N-(2-Morpholin-4-Ylethyl)-L-Phenylalaninamide | Ligand Info | |||||
| Structure Description | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor | PDB:1CGL | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
VLTEGNPRWE
110 QTHLRYRIEN120 YTPDLPRADV130 DHAIEKAFQL140 WSDVTPLTFT150 KVSEGQADIM 160 ISFVRGDHRD170 NSPFDGPGGN180 LAHAFDPGPG190 IGGDAHFDED200 ERWTNNFREY 210 NLHRVAAHEL220 GHSLGLSHST230 DIGALMYPSY240 TFSGDVQLAQ250 DDIDGIQAIY 260 GRSQNPVQ
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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 .0ED or .0ED2 or .0ED3 or :30ED;style chemicals stick;color identity;select .A:170 or .A:172 or .A:174 or .A:175 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:210 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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ASP170
4.174
SER172
2.829
PHE174
4.815
ASP175
4.294
GLY178
4.608
GLY179
2.184
ASN180
1.916
LEU181
1.872
ALA182
2.585
HIS183
1.904
ALA184
2.378
PHE185
2.897
TYR210
2.708
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| Ligand Name: n-Hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | PDB:966C | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
RWEQTHLTYR
117 IENYTPDLPR127 ADVDHAIEKA137 FQLWSNVTPL147 TFTKVSEGQA157 DIMISFVRGD 167 HRDNSPFDGP177 GGNLAHAFQP187 GPGIGGDAHF197 DEDERWTNNF207 REYNLHRVAA 217 HELGHSLGLS227 HSTDIGALMY237 PSYTFSGDVQ247 LAQDDIDGIQ257 AIYGRSQ |
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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 .RS2 or .RS22 or .RS23 or :3RS2;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: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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GLY179
4.436
ASN180
2.183
LEU181
1.955
ALA182
1.876
HIS183
3.335
ALA184
2.961
ARG214
3.545
VAL215
3.013
HIS218
2.415
GLU219
2.366
HIS222
3.236
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound. Biochemistry. 1999 Jun 1;38(22):7085-96. | ||||
| REF 2 | 1.56 A structure of mature truncated human fibroblast collagenase. Proteins. 1994 Jun;19(2):98-109. | ||||
| REF 3 | Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor. Nat Struct Biol. 1994 Feb;1(2):106-10. | ||||
| REF 4 | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor. Science. 1994 Jan 21;263(5145):375-7. | ||||
| REF 5 | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat Struct Biol. 1999 Mar;6(3):217-21. | ||||
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