Structure of PDB 7kug Chain C Binding Site BS01

Receptor Information
>7kug Chain C (length=64) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVLPCHVGDPDMWFADTPAGLEVAKTMCVSCPIRRQCLAAALQRAEPWGV
WGGEIFDQGSIVSH
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 chain7kug Chain C 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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PDB7kug Structural insights into the functional divergence of WhiB-like proteins in Mycobacterium tuberculosis.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		P19 C20 C43 C46 C52 G67
Binding residue
(residue number reindexed from 1)		P4 C5 C28 C31 C37 G52
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7kug, PDBe:7kug, PDBj:7kug
PDBsum7kug
PubMed34171298
UniProtQ6MX01|WHB7A_MYCTU Probable transcriptional regulator WhiB7 (Gene Name=whiB7)

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