Structure of PDB 1b8r Chain A Binding Site BS01

Receptor Information
>1b8r Chain A (length=108) Species: 7962 (Cyprinus carpio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFAGVLNDADIAAALEACKAADSFNHKAFFAKVGLTSKSADDVKKAFAII
DQDKSGFIEEDELKLFLQNFKADARALTDGETKTFLKAGDSDGDGKIGVD
EWTALVKA
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 chain1b8r Chain A Residue 109 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b8r Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D90 D92 D94 K96 E101
Binding residue
(residue number reindexed from 1)		D90 D92 D94 K96 E101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:1b8r, PDBe:1b8r, PDBj:1b8r
PDBsum1b8r
PubMed10545326
UniProtP02618|PRVB_CYPCA Parvalbumin beta

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