Structure of PDB 5x80 Chain B Binding Site BS02

Receptor Information
>5x80 Chain B (length=135) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LADDAPLGYLLYRVGAVLRPEVSAALSPLGLTLPEFVCLRMLSQSPGLSS
AELARHASVTPQAMNTVLRKLEDAGAVARPASVSSGRSLPATLTARGRAL
AKRAEAVVRAADARVLARLTAPQQREFKRMLEKLG
Ligand information
Ligand IDSAL
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)O
CACTVS 3.341OC(=O)c1ccccc1O
FormulaC7 H6 O3
Name2-HYDROXYBENZOIC ACID;
SALICYLIC ACID
ChEMBLCHEMBL424
DrugBankDB00936
ZINCZINC000000001554
PDB chain5x80 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x80 Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F38 R42
Binding residue
(residue number reindexed from 1)		F36 R40
Annotation score1
Binding affinityMOAD: Ka=24500M^-1
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:5x80, PDBe:5x80, PDBj:5x80
PDBsum5x80
PubMed28743871
UniProtP9WME9|HTMR_MYCTU HTH-type transcriptional repressor Rv2887 (Gene Name=Rv2887)

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