Structure of PDB 4bn7 Chain A Binding Site BS02

Receptor Information
>4bn7 Chain A (length=189) Species: 272623 (Lactococcus lactis subsp. lactis Il1403) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFIKSLENRRTIYALGRNVQDEEKVIETIKEAVRFSPTAFNSQTGRLLIL
TGDAQDKLWDEIVAPELKAAMEAAKLDGFKAAFGTILFFEDQAVVKNLQE
QFALYADNFPVWSEQGSGIISVNVWTALAELGLGANLQHYNPLIDEAVAK
EWNLPESWKLRGQLVFGSIEAPAGEKTFMDDADRFIVAK
Ligand information
Ligand IDRLM
InChIInChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H
InChIKeyIFTGQCOAUCEONK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O
ACDLabs 12.01Clc1cc(cc(Cl)c1O)Nc2ccc(O)cc2
FormulaC12 H9 Cl2 N O2
Name2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
ChEMBL
DrugBank
ZINCZINC000002527896
PDB chain4bn7 Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bn7 Nitroreductase Cind from Lactococcus Lactis
Resolution1.723 Å
Binding residue
(original residue number in PDB)		H152 Y153
Binding residue
(residue number reindexed from 1)		H139 Y140
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0034599 cellular response to oxidative stress

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Molecular Function
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Biological Process
External links
PDB RCSB:4bn7, PDBe:4bn7, PDBj:4bn7
PDBsum4bn7
PubMed
UniProtQ9CED0

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