Structure of PDB 6cz6 Chain B Binding Site BS02

Receptor Information
>6cz6 Chain B (length=328) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPFEEVRDFFYDRNNYIHDLDMAAERMFTESGMRTGGLDIQLAELMRDRF
GISVVIDDNLPDTAKRRYHPDTKVLRVAHWLMPGQRAFQIATQLALVGQS
DLISSIVATDDQLSTEARGVARIGLANYFAGAFLLPYREFHRAAEQLRYD
IDLLGRRFGVGFETVCHRLSTLQRPRQRGIPFIFIRTDKAGNISKRQSAT
AFHFSRVGGSCPLWVVHDAFAQPERIVRQVAQMPDGRSYFWVAKTTAADG
LGYLGPHKNFAVGLGCDLAHAHKLVYSTGVVLDDPSTEVPIGAGCKICNR
TSCAQRAFPYLGGRVAVDENAGSSLPYS
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6cz6 Chain B Residue 502 [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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PDB6cz6 Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C363 P364 L365 I443 G444 G446 C447 C450 C455 R458
Binding residue
(residue number reindexed from 1)		C211 P212 L213 I291 G292 G294 C295 C298 C303 R306
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:6cz6, PDBe:6cz6, PDBj:6cz6
PDBsum6cz6
PubMed31504787
UniProtO06581|PRPR_MYCTU HTH-type transcriptional regulator PrpR (Gene Name=prpR)

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