Structure of PDB 2opo Chain B Binding Site BS02

Receptor Information
>2opo Chain B (length=81) Species: 3559 (Chenopodium album) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPQDIADRERIFKRFDTNGDGKISSSELGDALKTLGSVTPDEVRRMMAEI
DTDGDGFISFDEFTDFARANRGLVKDVSKIF
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 chain2opo Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2opo Three-dimensional structure of the cross-reactive pollen allergen Che a 3: visualizing cross-reactivity on the molecular surfaces of weed, grass, and tree pollen allergens.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D56 D58 D60 F62 E67
Binding residue
(residue number reindexed from 1)		D51 D53 D55 F57 E62
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2opo, PDBe:2opo, PDBj:2opo
PDBsum2opo
PubMed18250440
UniProtQ84V36|POLC3_CHEAL Polcalcin Che a 3

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