Structure of PDB 8cwr Chain A Binding Site BS01

Receptor Information
>8cwr Chain A (length=85) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLPGPNADIWNWQLQGLCRGMDSSMFFHPDGERGRARTQREQRAKEMCRR
CPVIEACRSHALEVGEPYGVWGGLSESERDLLLKG
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 chain8cwr Chain A Residue 101 [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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PDB8cwr Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C23 C53 C56 I59 C62 G77
Binding residue
(residue number reindexed from 1)		C18 C48 C51 I54 C57 G72
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8cwr, PDBe:8cwr, PDBj:8cwr
PDBsum8cwr
PubMed37142222
UniProtP9WF41|WHIB3_MYCTU Redox- and pH-responsive transcriptional regulator WhiB3 (Gene Name=whiB3)

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