Structure of PDB 1k9u Chain A Binding Site BS01

Receptor Information
>1k9u Chain A (length=76) Species: 15957 (Phleum pratense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGD
GFIDFNEFISFCNANPGLMKDVAKVF
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 chain1k9u Chain A Residue 1001 [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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PDB1k9u The cross-reactive calcium-binding pollen allergen, Phl p 7, reveals a novel dimer assembly
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D13 N15 D17 K19 E24
Binding residue
(residue number reindexed from 1)		D11 N13 D15 K17 E22
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:1k9u, PDBe:1k9u, PDBj:1k9u
PDBsum1k9u
PubMed12356717
UniProtO82040|POLC7_PHLPR Polcalcin Phl p 7 (Gene Name=P7)

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