Structure of PDB 3fs7 Chain B Binding Site BS02

Receptor Information
>3fs7 Chain B (length=107) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AITDILSAKDIESALSSCQAADSFNYKSFFSTVGLSSKTPDQIKKVFGIL
DQDKSGFIEEEELQLFLKNFSSSARVLTSAETKAFLAAGDTDGDGKIGVE
EFQSLVK
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 chain3fs7 Chain B Residue 111 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fs7 Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.
Resolution1.9539 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:3fs7, PDBe:3fs7, PDBj:3fs7
PDBsum3fs7
PubMed20156445
UniProtP19753|PRVT_CHICK Parvalbumin, thymic

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