Structure of PDB 6cyy Chain A Binding Site BS02

Receptor Information
>6cyy Chain A (length=330) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMPFEEVRDFFYDRNNYIHDLDMAAERMFTESGMRTGGLDIQLAELMRDR
FGISVVIDDNLPDTAKRRYHPDTKVLRVAHWLMPGQRAFQIATQLALVGQ
SDLISSIVATDDQLSTEARGVARIGLANYFAGAFLLPYREFHRAAEQLRY
DIDLLGRRFGVGFETVCHRLSTLQRPRQRGIPFIFVRTDKAGNISKRQSA
TAFHFSRVGGSCPLWVVHDAFAQPERIVRQVAQMPDGRSYFWVAKTTAAD
GLGYLGPHKNFAVGLGCDLAHAHKLVYSTGVVLDDPSTEVPIGAGCKICN
RTSCAQRAFPYLGGRVAVDENAGSSLPYSS
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 chain6cyy Chain A 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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PDB6cyy Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Resolution2.506 Å
Binding residue
(original residue number in PDB)		C363 P364 I443 G444 G446 C447 C450 C455 R458
Binding residue
(residue number reindexed from 1)		C212 P213 I292 G293 G295 C296 C299 C304 R307
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:6cyy, PDBe:6cyy, PDBj:6cyy
PDBsum6cyy
PubMed31504787
UniProtO06581|PRPR_MYCTU HTH-type transcriptional regulator PrpR (Gene Name=prpR)

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