Structure of PDB 5o7e Chain A Binding Site BS01

Receptor Information
>5o7e Chain A (length=380) 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
LTAYFTNYKVDSSNKVTYDVVFHGYLPNEG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5o7e Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5o7e Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		H455 H459 E487
Binding residue
(residue number reindexed from 1)		H114 H118 E146
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:5o7e, PDBe:5o7e, PDBj:5o7e
PDBsum5o7e
PubMed28820255
UniProtQ46085|COLH_HATHI Collagenase ColH (Gene Name=colH)

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