Structure of PDB 2o8o Chain B Binding Site BS01

Receptor Information
>2o8o Chain B (length=114) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPGNEKLKEKENNDSSDKATVIPNFNTTMQGSLLGDDSRDYYSFEVKEEG
EVNIELDKKDEFGVTWTLHPESRITYGQVDGNKVSNKVKLRPGKYYLLVY
KYSGSGNYELRVNK
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 chain2o8o Chain B Residue 2009 [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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PDB2o8o Induction of stable beta-sheet by Ca2+ in Clostridial collagen binding domain
Resolution1.35 Å
Binding residue
(original residue number in PDB)		E1899 E1901 S1922 D1927 D1930
Binding residue
(residue number reindexed from 1)		E9 E11 S32 D37 D40
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
External links
PDB RCSB:2o8o, PDBe:2o8o, PDBj:2o8o
PDBsum2o8o
PubMed
UniProtQ9X721|COLG_HATHI Collagenase ColG (Gene Name=colG)

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