Structure of PDB 7v33 Chain A Binding Site BS01

Receptor Information

>7v33 Chain A (length=433) Species: 9823 (Sus scrofa)

APKKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDW
ILGEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTC
KDREIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIRE
AYEAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRL
KPPFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKL
FNISGHVNHPCTVEEEMSVPLKELIEKHAGGVIGGWDNLLAVIPGGSSTP
LIPKSVCETVLMDFDALVQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYK
HESCGQCTPCREGVDWMNKVMARFVKGDARPAEIDSLWEISKQIEGHTIC
ALGDGAAWPVQGLIRHFRPELEERMQQFALQHQ

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: 7v33 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7v33 The coupling mechanism of mammalian mitochondrial complex I.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): I205 P223 S378 C379 C382 C385 T423 C425 L427
• Binding residue (residue number reindexed from 1): I180 P198 S353 C354 C357 C360 T398 C400 L402
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).

Gene Ontology

Molecular Function

• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0010181 FMN binding
• GO:0046872 metal ion binding
• GO:0051287 NAD binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0006120 mitochondrial electron transport, NADH to ubiquinone
• GO:0042775 mitochondrial ATP synthesis coupled electron transport
• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0005739 mitochondrion
• GO:0005743 mitochondrial inner membrane
• GO:0005829 cytosol
• GO:0045271 respiratory chain complex I

External links

• PDB: RCSB:7v33, PDBe:7v33, PDBj:7v33
• PDBsum: 7v33
• PubMed: 35145322
• UniProt: A0A4X1SZP7