Structure of PDB 4aoc Chain B Binding Site BS01

Receptor Information
>4aoc Chain B (length=120) Species: 331271 (Burkholderia orbicola AU 1054) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAGEFSIPPNTDFRAIFFANAAEQQHIKLFIGDSQEPAAYHKLTTRDGPR
EATLNSGNGKIRFEVSVNGKPSATDARLAPINGKKSDGSPFTVNFGIVVS
EDGHDSDYNDGIVVLQWPIG
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 chain4aoc Chain B Residue 1129 [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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PDB4aoc Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N28 D115 N117 D118
Binding residue
(residue number reindexed from 1)		N20 D107 N109 D110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4aoc, PDBe:4aoc, PDBj:4aoc
PDBsum4aoc
PubMed22763039
UniProtA0A0H2Y045

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