Structure of PDB 7zoc Chain A Binding Site BS02

Receptor Information
>7zoc Chain A (length=378) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPL
EEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYERE
AQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAE
LFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYA
CMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNHALNDKYQDH
MQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVK
KSQYFSTFTLRGSYTGGVSKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKT
LTAYFTNYKVDSSNKVTYDVVFHGYLPN
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 chain7zoc Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zoc N-aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of P. aeruginosa virulence factor LasB and C. histolyticum virulence factor ColH
Resolution1.91 Å
Binding residue
(original residue number in PDB)		E430 G463 V467 P468 G469
Binding residue
(residue number reindexed from 1)		E89 G122 V126 P127 G128
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zoc, PDBe:7zoc, PDBj:7zoc
PDBsum7zoc
PubMed
UniProtQ46085|COLH_HATHI Collagenase ColH (Gene Name=colH)

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