Structure of PDB 7kh3 Chain A Binding Site BS01

Receptor Information
>7kh3 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 IDIOP
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCC(=O)O
CACTVS 3.341OC(=O)CCc1c[nH]c2ccccc12
FormulaC11 H11 N O2
NameINDOLYLPROPIONIC ACID
ChEMBLCHEMBL207225
DrugBankDB02758
ZINCZINC000000007700
PDB chain7kh3 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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PDB7kh3 Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S28 H32 R46 S50 V65
Binding residue
(residue number reindexed from 1)		S19 H23 R37 S41 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

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Molecular Function
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Biological Process
External links
PDB RCSB:7kh3, PDBe:7kh3, PDBj:7kh3
PDBsum7kh3
PubMed36266335
UniProtC5CSP2

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