Structure of PDB 3e3r Chain B Binding Site BS04

Receptor Information
>3e3r Chain B (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDATMEKLRAQCLSRGGIQGLARFFRQLDRDGSRSLDADEFRQGLAKLGL
VLDQAEAEGVCRKWDRNGSGTLDLEEFLRALRPPMSQAREAVIAAAFAKL
DRSGDGVVTVDDLRGVYSGEWTEDEVLRRFLDNFDSSEKDGQVTLAEFQD
YYSGVSASMNTDEEFVAMMTSAWQL
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 chain3e3r Chain B Residue 195 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e3r Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D34 D36 S38 S40 E45
Binding residue
(residue number reindexed from 1)		D29 D31 S33 S35 E40
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:3e3r, PDBe:3e3r, PDBj:3e3r
PDBsum3e3r
PubMed18775726
UniProtQ13938|CAYP1_HUMAN Calcyphosin (Gene Name=CAPS)

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