Structure of PDB 6rfr Chain I Binding Site BS02

Receptor Information

>6rfr Chain I (length=190) Species: 4952 (Yarrowia lipolytica)

NIYAGGSAAAAPPAGFRIHRPATWEESEEGALSKATKYFLLAEMFRGLYV
VLEQFFRAPYTIYYPFEKGPVSPRFRGEHALRRYPSGEERCIACKLCEAI
CPALAITIDAEERIDGSRRTTKYDIDMTKCIYCGYCQESCPVDAIVETPN
VEYATETREELLYNKEKLLANGDKWELELQYALDADAPYR

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: 6rfr Chain I Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rfr High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): C130 A132 C133 K134 L135 C136 C179 A183
• Binding residue (residue number reindexed from 1): C91 A93 C94 K95 L96 C97 C140 A144
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.6.99.3: Deleted entry.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006120 mitochondrial electron transport, NADH to ubiquinone
• GO:0032981 mitochondrial respiratory chain complex I assembly

Cellular Component

• GO:0005739 mitochondrion
• GO:0016020 membrane
• GO:0045271 respiratory chain complex I

External links

• PDB: RCSB:6rfr, PDBe:6rfr, PDBj:6rfr
• PDBsum: 6rfr
• PubMed: 31844670
• UniProt: F2Z619