Structure of PDB 2wr9 Chain B Binding Site BS01

Receptor Information
>2wr9 Chain B (length=123) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSNRAGEFSIPPNTDFRAIFFANAAEQQHIKLFIGDSQEPAAYHKLTTRD
GPREATLNSGNGKIRFEVSVNGKPSATDARLAPINGKKSDGSPFTVNFGI
VVSEDGHDSDYNDGIVVLQWPIG
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 chain2wr9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2wr9 Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		N28 D115 N117 D118
Binding residue
(residue number reindexed from 1)		N23 D110 N112 D113
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:2wr9, PDBe:2wr9, PDBj:2wr9
PDBsum2wr9
PubMed19770128
UniProtB4EH87

[Back to BioLiP]