Structure of PDB 8cwt Chain F Binding Site BS01

Receptor Information
>8cwt Chain F (length=108) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHHHHHHVAVDAVSFTLLQDQLQSVLDTLSEREAGVVRLRFGLTDGQPRT
LDEIGQVYGVTRERIRQIESKTMSKLRHPSRSQVLRDYLDGSSGSGTPEE
RLLRAIFG
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 E Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		H516 P517
Binding residue
(residue number reindexed from 1)		H78 P79
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.6: DNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006352 DNA-templated transcription initiation
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:8cwt, PDBe:8cwt, PDBj:8cwt
PDBsum8cwt
PubMed37142222
UniProtP9WGI1|SIGA_MYCTU RNA polymerase sigma factor SigA (Gene Name=sigA);
P9WGY9|RPOB_MYCTU DNA-directed RNA polymerase subunit beta (Gene Name=rpoB)

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