Structure of PDB 1f4o Chain B Binding Site BS01

Receptor Information
>1f4o Chain B (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
YRLSPQTLTTIVKRYSKNGRIFFDDYVACCVKLRALTDFFKKRDHLQQGS
ADFIYDDFLQGTMAI
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 chain1f4o Chain B 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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PDB1f4o Crystal structure of human grancalcin, a member of the penta-EF-hand protein family.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D132 D134 S136 T138 E143
Binding residue
(residue number reindexed from 1)		D80 D82 S84 T86 E91
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:1f4o, PDBe:1f4o, PDBj:1f4o
PDBsum1f4o
PubMed10903868
UniProtP28676|GRAN_HUMAN Grancalcin (Gene Name=GCA)

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