Structure of PDB 1k94 Chain A Binding Site BS02

Receptor Information
>1k94 Chain A (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVYTYFSAVAGQDGEVDAEELQRCLTQSGINGTYSPFSLETCRIMIAMLD
RDHTGKMGFNAFKELWAALNAWKENFMTVDQDGSGTVEHHELRQAIGLMG
YRLSPQTLTTIVKRYSKNGRIFFDDYVACCVKLRALTDFFRKRDHLQQGS
ANFIYDDFLQGTMAI
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 chain1k94 Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1k94 Structure of Ca(2+)-loaded human grancalcin.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A62 D65 E67 E72
Binding residue
(residue number reindexed from 1)		A10 D13 E15 E20
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F114 G137 V139
Catalytic site (residue number reindexed from 1) F62 G85 V87
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:1k94, PDBe:1k94, PDBj:1k94
PDBsum1k94
PubMed11717497
UniProtP28676|GRAN_HUMAN Grancalcin (Gene Name=GCA)

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