Structure of PDB 5a6y Chain A Binding Site BS02

Receptor Information
>5a6y Chain A (length=114) Species: 208963 (Pseudomonas aeruginosa UCBPP-PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATQGVFTLPANTQFGVTAFANSAGTQTVNVQVNNETVATFTGQSTNNAII
GSKVLNSGGGGKVQILVSVNGRSSDLVSAQVILANELNFALVGSEDSTDN
DYNDAVVVINWPLG
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 chain5a6y Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a6y The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		N21 D101 N103 D104
Binding residue
(residue number reindexed from 1)		N21 D101 N103 D104
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5a6y, PDBe:5a6y, PDBj:5a6y
PDBsum5a6y
PubMed30155149
UniProtA0A0H2ZE85

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