Structure of PDB 3lf1 Chain B Binding Site BS02

Receptor Information
>3lf1 Chain B (length=262) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALR
QRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTF
AETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPE
PHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEA
REERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGS
HIDVSGGLSRHA
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 chain3lf1 Chain B Residue 268 [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]
PDB3lf1 The short-chain oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 contains an atypical catalytic center.
Resolution2.315 Å
Binding residue
(original residue number in PDB)		E79 E82
Binding residue
(residue number reindexed from 1)		E76 E79
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G19 S146 T159 R163 A203
Catalytic site (residue number reindexed from 1) G16 S143 T156 R160 A200
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3lf1, PDBe:3lf1, PDBj:3lf1
PDBsum3lf1
PubMed20340135
UniProtQ9HYA2

[Back to BioLiP]