Structure of PDB 3kmh Chain A Binding Site BS01

Receptor Information
>3kmh Chain A (length=219) 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
QPLLIDEDEPAQLVLCNEY
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 chain3kmh 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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PDB3kmh Structure-based annotation of a novel sugar isomerase from the pathogenic E. coli O157:H7.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		H103 H105 E110 H171
Binding residue
(residue number reindexed from 1)		H103 H105 E110 H171
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.15: D-lyxose ketol-isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3kmh, PDBe:3kmh, PDBj:3kmh
PDBsum3kmh
PubMed20615418
UniProtQ8X5Q7

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