Structure of PDB 2kpn Chain A Binding Site BS01

Receptor Information
>2kpn Chain A (length=97) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGNGETSDLEPKLTVPVGATIHVGDSFVPMAEVLAIDKEDGDLTSKIKVD
GEVDTTKAGTYVLTYTVTDSKGHEVTAKQTVTVKVREEVKNDKPILE
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 chain2kpn Chain A Residue 762 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2kpn Solution NMR structure of a Bacterial Ig-like (Big_3) domain from Bacillus cereus. Northeast Structural Genomics Consortium target BcR147A
ResolutionN/A
Binding residue
(original residue number in PDB)		D664 L665 D693 E695 D725
Binding residue
(residue number reindexed from 1)		D8 L9 D37 E39 D69
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.28: bacillolysin.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Biological Process
GO:0007156 homophilic cell adhesion via plasma membrane adhesion molecules
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2kpn, PDBe:2kpn, PDBj:2kpn
PDBsum2kpn
PubMed
UniProtQ81D73

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