Structure of PDB 3bfj Chain F Binding Site BS01

Receptor Information
>3bfj Chain F (length=382) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMFDYLVPNVNFFGPNAISVVGERCQLLGGKKALLVTDKGLRKDGAVDKT
LHYLREAGIEVAIFDGVEPNPKDTNVRDGLAVFRREQCDIIVTVGGGSPH
DCGKGIGIAATHEGDLYQYAGIETLTNPLPPIVAVNTTAGTASEVTRHCV
LTNTETKVKFVIVSWRNLPSVSINDPLLMIGKPAALTAATGMDALTHAVE
AYISKDANPVTDAAAMQAIRLIARNLRQAVALGSNLQAREYMAYASLLAG
MAFNNANLGYVHAMAHQLGGLYDMPHGVANAVLLPHVARYNLIANPEKFA
DIAELMGENITGLSTLDAAEKAIAAITRLSMDIGIPQHLRDLGVKETDFP
YMAEMALKDGNAFSNPRKGNEQEIAAIFRQAF
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3bfj Chain F Residue 1388 [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]
PDB3bfj 1,3-propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D198 H202 H267 H281
Binding residue
(residue number reindexed from 1)		D193 H197 H262 H276
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.202: 1,3-propanediol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047516 1,3-propanediol dehydrogenase activity

View graph for
Molecular Function
External links
PDB RCSB:3bfj, PDBe:3bfj, PDBj:3bfj
PDBsum3bfj
PubMed19011020
UniProtQ7WRJ3

[Back to BioLiP]