Structure of PDB 1bu3 Chain A Binding Site BS02

Receptor Information
>1bu3 Chain A (length=108) Species: 79698 (Merluccius bilinearis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFSGILADADVAAALKACEAADSFNYKAFFAKVGLTAKSADDIKKAFFVI
DQDKSGFIEEDELKLFLQVFSAGARALTDAETKAFLKAGDSDGDGAIGVD
EWAALVKA
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 chain1bu3 Chain A Residue 110 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bu3 X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B).
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D90 D92 D94 A96 E101
Binding residue
(residue number reindexed from 1)		D90 D92 D94 A96 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:1bu3, PDBe:1bu3, PDBj:1bu3
PDBsum1bu3
PubMed10739249
UniProtP56503|PRVB_MERBI Parvalbumin beta

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