Structure of PDB 7kuf Chain A Binding Site BS03

Receptor Information

>7kuf Chain A (length=73) Species: 1773 (Mycobacterium tuberculosis)

PVLPCHVGDPDLWFADTPAGLEVAKTLCVSCPIRRQCLAAALQRAEPWGV
WGGEIFDQGSIVSHKRPRGRPRK

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 7kuf Chain A Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kuf Structural insights into the functional divergence of WhiB-like proteins in Mycobacterium tuberculosis.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): P19 C20 C43 C46 R49 C52 G67
• Binding residue (residue number reindexed from 1): P4 C5 C28 C31 R34 C37 G52
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0035731 dinitrosyl-iron complex binding
• GO:0046872 metal ion binding
• GO:0047134 protein-disulfide reductase (NAD(P)H) activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0045454 cell redox homeostasis
• GO:0045892 negative regulation of DNA-templated transcription
• GO:0046677 response to antibiotic
• GO:0070542 response to fatty acid

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7kuf, PDBe:7kuf, PDBj:7kuf
• PDBsum: 7kuf
• PubMed: 34171298
• UniProt: Q6MX01|WHB7A_MYCTU Probable transcriptional regulator WhiB7 (Gene Name=whiB7)