Structure of PDB 5x80 Chain A Binding Site BS01

Receptor Information
>5x80 Chain A (length=137) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGLADDAPLGYLLYRVGAVLRPEVSAALSPLGLTLPEFVCLRMLSQSPGL
SSAELARHASVTPQAMNTVLRKLEDAGAVARPASVSSGRSLPATLTARGR
ALAKRAEAVVRAADARVLARLTAPQQREFKRMLEKLG
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 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 V39 R42
Binding residue
(residue number reindexed from 1)		F38 V39 R42
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5x80, PDBe:5x80, PDBj:5x80
PDBsum5x80
PubMed28743871
UniProtP9WME9|HTMR_MYCTU HTH-type transcriptional repressor Rv2887 (Gene Name=Rv2887)

[Back to BioLiP]