Structure of PDB 1a75 Chain B Binding Site BS01

Receptor Information
>1a75 Chain B (length=108) Species: 8058 (Merlangius merlangus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFAGILADADCAAAVKACEAADSFSYKAFFAKCGLSGKSADDIKKAFVFI
DQDKSGFIEEDELKLFLQVFKAGARALTDAETKAFLKAGDSDGDGAIGVE
EWVALVKA
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 chain1a75 Chain B Residue 109 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a75 Crystal Structure Determination and Refinement of Pike 4.10 Parvalbumin (Minor Component from Esox Lucius)
Resolution1.9 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:1a75, PDBe:1a75, PDBj:1a75
PDBsum1a75
PubMed
UniProtP02621|PRVB_MERMR Parvalbumin beta

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