Structure of PDB 6u8y Chain n Binding Site BS01

Receptor Information

>6u8y Chain n (length=176) Species: 1185654 (Pyrococcus furiosus COM1)

FRIAPEEKVKKKPSFLKPWFGLKYLFKKPVTIKIPYEFIEPAPRYRGFHT
LDWKKCIGCNMCGQICPARAIEMTWIPHPKIDYGRCTFCQFCVDVCPTGA
LGFIETYMLTTTWREEELLLYDWVPIEPEKFKEIQEKFKDYKFPVEKIEF
NKETKEVTYYLRDGTTFKFKILGYGL

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: 6u8y Chain n Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6u8y Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life.
• Resolution: 4.0 Å
• Binding residue (original residue number in PDB): H54 C71 P72 I76 C96 T97 C99 Q100 F101 C102
• Binding residue (residue number reindexed from 1): H49 C66 P67 I71 C86 T87 C89 Q90 F91 C92
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.6.99.5: Transferred entry: 1.6.5.11.

Gene Ontology

Molecular Function

• GO:0003954 NADH dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016651 oxidoreductase activity, acting on NAD(P)H
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009060 aerobic respiration

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6u8y, PDBe:6u8y, PDBj:6u8y
• PDBsum: 6u8y
• PubMed: 33230146
• UniProt: I6U853