Structure of PDB 8cwt Chain A Binding Site BS01

Receptor Information
>8cwt Chain A (length=75) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WNWQLQGLCRGMDSSMFFHPDGERGRARTQREQRAKEMCRRCPVIEACRS
HALEVGEPYGVWGGLSESERDLLLK
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 chain8cwt 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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PDB8cwt Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		C23 F31 C53 C56 I59 C62 G77
Binding residue
(residue number reindexed from 1)		C9 F17 C39 C42 I45 C48 G63
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8cwt, PDBe:8cwt, PDBj:8cwt
PDBsum8cwt
PubMed37142222
UniProtP9WF41|WHIB3_MYCTU Redox- and pH-responsive transcriptional regulator WhiB3 (Gene Name=whiB3)

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