Structure of PDB 8h4j Chain G Binding Site BS02

Receptor Information
>8h4j Chain G (length=201) Species: 1420013 (Klebsiella pneumoniae 30684/NJST258_2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANVLVLKSSINGETSLTNQLINEFLAARQAAGHGDRLTEHDLSAMALPT
LDRPLFAALRGAVDPQPAIREAVALSDQLIAELKASDLLVIGAPMYNLNV
PTDLKKWFDLVARARETFRYTESWPQGLVEGVRAVVVSSRGGIHQGETTD
AVTPYLRAVLGLMGIQEVEFIYAEGLDNRPHGRDAGIASARAQIARLAVQ
A
Ligand information
Ligand ID1IE
InChIInChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3
InChIKeyZMQQEACDZCVCPK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1
OpenEye OEToolkits 2.0.7CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24
FormulaC19 H16 N2 S
Name~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
ChEMBL
DrugBank
ZINC
PDB chain8h4j Chain G Residue 302 [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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PDB8h4j Crystal Structure of AzoR-FMN-Lyb24 complex
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F56 R60 A114 F118 Y120
Binding residue
(residue number reindexed from 1)		F56 R60 A114 F118 Y120
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.5.-
1.7.1.17: FMN-dependent NADH-azoreductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:8h4j, PDBe:8h4j, PDBj:8h4j
PDBsum8h4j
PubMed
UniProtW8UQZ7

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