Structure of PDB 1cxv Chain A Binding Site BS05

Receptor Information
>1cxv Chain A (length=160) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNVFPRTLKWSQTNLTYRIVNYTPDMSHSEVEKAFRKAFKVWSDVTPLNF
TRIYDGTADIMISFGTKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFIVAAHELGHSLGLDHSKDPGALMFPIYTYTFMLPDD
DVQGIQFLYG
Ligand information
Ligand IDCBP
InChIInChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
InChIKeyQOPFTBAEAJQKSY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2
ACDLabs 10.04O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
OpenEye OEToolkits 1.5.0c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO
FormulaC19 H20 Cl N O6 S
Name2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE
ChEMBLCHEMBL93687
DrugBankDB02049
ZINCZINC000003821624
PDB chain1cxv Chain A Residue 10 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cxv Structure of recombinant mouse collagenase-3 (MMP-13).
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y155 L163 L164 A165 I197 H201 E202 H205 H211 L218 F220 I222 Y223 T224
Binding residue
(residue number reindexed from 1)		Y73 L81 L82 A83 I115 H119 E120 H123 H129 L136 F138 I140 Y141 T142
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H201 E202 H205 H211
Catalytic site (residue number reindexed from 1) H119 E120 H123 H129
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1cxv, PDBe:1cxv, PDBj:1cxv
PDBsum1cxv
PubMed10525409
UniProtP33435|MMP13_MOUSE Collagenase 3 (Gene Name=Mmp13)

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