Structure of PDB 7kjq Chain A Binding Site BS01

Receptor Information
>7kjq Chain A (length=140) Species: 34073 (Variovorax paradoxus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFVDDYLPALLAQASQLISSEFHEVARQHGFSVSEWRVMASLAGSEPISI
GQLAQVTVTKQPTVTRLLDRMEARGQVERLPHESDRRITLVRITRKGLKA
VEHLMELAREHERRVLEPFGLRRAEELKQTLRQMIDLHVH
Ligand information
Ligand IDWOM
InChIInChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
InChIKeyNQQVFXUMIDALNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl
OpenEye OEToolkits 2.0.7c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N
ACDLabs 12.01c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl
FormulaC6 H3 Cl3 N2 O2
NamePicloram;
4-amino-3,5,6-trichloropyridine-2-carboxylic acid
ChEMBLCHEMBL461349
DrugBank
ZINCZINC000001237662
PDB chain7kjq Chain A Residue 201 [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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PDB7kjq Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		S28 H32 W45 R46 V65
Binding residue
(residue number reindexed from 1)		S19 H23 W36 R37 V56
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006950 response to stress

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kjq, PDBe:7kjq, PDBj:7kjq
PDBsum7kjq
PubMed36266335
UniProtC5CSP2

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