Structure of PDB 3mpb Chain A Binding Site BS01

Receptor Information
>3mpb Chain A (length=226) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRSAINDILGHTRQFFSQHDVHLPPFASFSPAQWQQLDTAAWEEVFDLK
LGWDVTAFGRNNFAAHGLTLFTLRNGSAKGMPYVKCYAEKIMHVRDAQVT
PMHFHWRKREDIINRGGGNLIVELWNADSNEQTADSDITVVIDGCRQKHT
AGSQLRLSPGESICLPPGLYHSFWAEAGFGDVLVGEVSSVNDDDHDNHFL
QPLRYNLIDEDEPAQLVLCNEYRQFR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3mpb 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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PDB3mpb Structure-based annotation of a novel sugar isomerase from the pathogenic E. coli O157:H7.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		H103 H105 E110 H171
Binding residue
(residue number reindexed from 1)		H103 H105 E110 H171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3mpb, PDBe:3mpb, PDBj:3mpb
PDBsum3mpb
PubMed20615418
UniProtQ8X5Q7

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