Structure of PDB 2v9c Chain B Binding Site BS01

Receptor Information
>2v9c Chain B (length=193) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAV
TEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFS
VPSGLKAWIDQIVRLGVTFDFVQYRPLLRGKRALIVTSRGGHGFGPGGEN
QAMNHADPWLRTALGFIGIDEVTVVAAEGDEAEQRLLALARSA
Ligand information
Ligand IDMRE
InChIInChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKeyCEQFOVLGLXCDCX-WUKNDPDISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O
CACTVS 3.341CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1
FormulaC15 H15 N3 O2
Name2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID;
METHYL RED
ChEMBLCHEMBL375971
DrugBankDB08209
ZINCZINC000003877658
PDB chain2v9c Chain A Residue 1214 [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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PDB2v9c Molecular Cloning, Characterisation and Ligand- Bound Structure of an Azoreductase from Pseudomonas Aeruginosa
Resolution2.18 Å
Binding residue
(original residue number in PDB)		F60 Y131 F173
Binding residue
(residue number reindexed from 1)		F59 Y124 F166
Annotation score5
Enzymatic activity
Enzyme Commision number 1.6.5.-
1.7.1.17: FMN-dependent NADH-azoreductase.
Gene Ontology
Molecular Function
GO:0003960 NADPH:quinone reductase activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016652 oxidoreductase activity, acting on NAD(P)H as acceptor
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor

View graph for
Molecular Function
External links
PDB RCSB:2v9c, PDBe:2v9c, PDBj:2v9c
PDBsum2v9c
PubMed17904577
UniProtQ9I5F3|AZOR1_PSEAE FMN-dependent NAD(P)H:quinone oxidoreductase 1 (Gene Name=azoR1)

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