Structure of PDB 4jgu Chain A Binding Site BS01

Receptor Information
>4jgu Chain A (length=95) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIKDLSENKLPVIYMHVPKSGALNQKVVFYGKGTYDPDGSIAGYQWDFG
DGSDFSSEQNPSHVYTKKGEYTVTLRVMDSSGQMSEKTMKIKITD
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 chain4jgu Chain A Residue 901 [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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PDB4jgu Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		N774 K775 D802 D804 D844
Binding residue
(residue number reindexed from 1)		N9 K10 D37 D39 D79
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
External links
PDB RCSB:4jgu, PDBe:4jgu, PDBj:4jgu
PDBsum4jgu
PubMed25760606
UniProtQ46085|COLH_HATHI Collagenase ColH (Gene Name=colH)

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