Structure of PDB 1cgf Chain B Binding Site BS05

Receptor Information
>1cgf Chain B (length=162) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTEGNPRWEQTHLRYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTK
VSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDE
RWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQD
DIDGIQAIYGRS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1cgf Chain B Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cgf Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D158 G190 G192 D194
Binding residue
(residue number reindexed from 1)		D57 G89 G91 D93
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H218 E219 H222 H228
Catalytic site (residue number reindexed from 1) H117 E118 H121 H127
Enzyme Commision number 3.4.24.7: interstitial collagenase.
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:1cgf, PDBe:1cgf, PDBj:1cgf
PDBsum1cgf
PubMed8031754
UniProtP03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)

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