Structure of PDB 5oay Chain A Binding Site BS01

Receptor Information

>5oay Chain A (length=76) Species: 83332 (Mycobacterium tuberculosis H37Rv)

MDWRHKAVCRDEDPELFFPVGNSGPALAQIADAKLVCNRCPVTTECLSWA
LNTGQDSGVWGGMSEDERRALKRRNA

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: 5oay Chain A Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5oay Structure of a Wbl protein and implications for NO sensing by M. tuberculosis.
• Resolution: N/A
• Binding residue (original residue number in PDB): H5 V8 C9 C37 C40 P41 T43 C46 G61 G62
• Binding residue (residue number reindexed from 1): H5 V8 C9 C37 C40 P41 T43 C46 G61 G62
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0005515 protein binding
• GO:0015035 protein-disulfide reductase activity
• 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:0071731 response to nitric oxide

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5oay, PDBe:5oay, PDBj:5oay
• PDBsum: 5oay
• PubMed: 29273788
• UniProt: P9WF43|WHIB1_MYCTU Transcriptional regulator WhiB1 (Gene Name=whiB1)