Structure of PDB 6cyj Chain A Binding Site BS01

Receptor Information
>6cyj Chain A (length=329) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMPHEEVRDFFYDRNNYIHDLDMAAERMFTESGMRTGGLDIQLAELMRDR
FGISVVIDDNLPDTAKRRYHPDTKVLRVAHWLMPGQRAFQIATQLALVGQ
SDLISSIVATDDQLSTEARGVARIGLANYFAGAFLLPYREFHRAAEQLRY
DIDLLGRRFGVGFETVCHRLSTLQRPRQRGIPFIFVRTDKAGNISKRQSA
TAFHFSRVGGSCPLWVVHDAFAQPERIVRQVAQMPDGRSYFWVAKTTAAD
GLGYLGPHKNFAVGLGCDLAHAHKLVYSTGVVLDDPSTEVPIGAGCKICN
RTSCAQRAFPYLGGRVAVDENAGSSLPYS
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 chain6cyj Chain A Residue 501 [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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PDB6cyj Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Resolution2.699 Å
Binding residue
(original residue number in PDB)		C363 P364 G444 G446 C447 C450 C455 Q457 R458
Binding residue
(residue number reindexed from 1)		C212 P213 G293 G295 C296 C299 C304 Q306 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:6cyj, PDBe:6cyj, PDBj:6cyj
PDBsum6cyj
PubMed31504787
UniProtO06581|PRPR_MYCTU HTH-type transcriptional regulator PrpR (Gene Name=prpR)

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