Structure of PDB 2pyb Chain C Binding Site BS01

Receptor Information
>2pyb Chain C (length=151) Species: 224326 (Borreliella burgdorferi B31) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDLDAIQLKLQELLASLHIFYSNLRGIHWNIKDTNFFVIHKKTQKLYEYI
EKIIDIVAERSRMLGYDSEFRYSEFMKKSFIKELDIESTSNFLPSMESIV
CSLTEILKNIFGMRKLIDTAGDYGTANIMDDIMSDLEKHLWMHKALLENC
D
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2pyb Chain C Residue 507 [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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PDB2pyb Structure and immunomodulatory property relationship in NapA of Borrelia burgdorferi.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D65 E69
Binding residue
(residue number reindexed from 1)		D55 E59
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008199 ferric iron binding

View graph for
Molecular Function
External links
PDB RCSB:2pyb, PDBe:2pyb, PDBj:2pyb
PDBsum2pyb
PubMed20851780
UniProtO51633

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