Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72252 | Target Info | |||
| Target Name | Caspase-7 (CASP7) | ||||
| Synonyms | MCH3; ICE-like apoptotic protease 3; ICE-LAP3; CMH-1; CASP-7; Apoptotic protease Mch-3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CASP7 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2-(2,4-Dichloro-phenoxy)-N-(2-mercapto-ethyl)-acetamide | Ligand Info | |||||
| Structure Description | Caspase-7 in complex with DICA allosteric inhibitor | PDB:1SHJ | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
TYQYNMNFEK
66 LGKCIIINNK76 NFDKVTGMGV86 RNGTDKDAEA96 LFKCFRSLGF106 DVIVYNDCSC 116 AKMQDLLKKA126 SEEDHTNAAC136 FACILLSHGE146 ENVIYGKDGV156 TPIKDLTAHF 166 RGARCKTLLE176 KPKLFFIQAC186 RGTEPRYKIP214 VEADFLFAYS224 TVRGSWFVQA 244 LCSILEEHGK254 DLEIMQILTR264 VNDRVARHFK285 KQIPCVVSML295 TKELYFSQ |
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| Ligand Name: 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide | Ligand Info | |||||
| Structure Description | CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR | PDB:1SHL | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
TYQYNMNFEK
66 LGKCIIINNK76 NFDKVTGMGV86 RNGTDKDAEA96 LFKCFRSLGF106 DVIVYNDCSC 116 AKMQDLLKKA126 SEEDHTNAAC136 FACILLSHGE146 ENVIYGKDGV156 TPIKDLTAHF 166 RGDRCKTLLE176 KPKLFFIQAC186 IPVEADFLFA222 YSTVRGSWFV242 QALCSILEEH 252 GKDLEIMQIL262 TRVNDRVARH272 FQIPCVVSML295 TKELYFSQ
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| Ligand Name: chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper | Ligand Info | |||||
| Structure Description | Crystal structure of CASPASE-7 in Complex with allosteric inhibitor | PDB:4FEA | ||||
| Method | X-ray diffraction | Resolution | 3.79 Å | Mutation | No | [2] |
| PDB Sequence |
TYQYNMNFEK
66 LGKCIIINNK76 DKDAEALFKC100 FRSLGFDVIV110 YNDCSCAKMQ120 DLLKKASEED 130 HTNAACFACI140 LLSHVTPIKD161 LTAHFRGDRC171 KTLLEKPKLF181 FIQACPVEAD 218 FLFAYSTVRG238 SWFVQALCSI248 LEEHGKDLEI258 MQILTRVNDR268 VARHIPCVVS 293 MLTKELYFSQ303
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of an allosteric site in the caspases. Proc Natl Acad Sci U S A. 2004 Aug 24;101(34):12461-6. | ||||
| REF 2 | A class of allosteric caspase inhibitors identified by high-throughput screening. Mol Cell. 2012 Aug 24;47(4):585-95. | ||||
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