Structure of PDB 7nyu Chain I Binding Site BS02

Receptor Information

>7nyu Chain I (length=158) Species: 37762 (Escherichia coli B)

HAFAKRETRMYPEEPVYLPPRYRGRIVLTRDPDGEERCVACNLCAVACPV
GCISLQKAETKDGRWYPEFFRINFSRCIFCGLCEEACPTTAIQLTPDFEM
GEYKRQDLVYEKEDLLISGPGKYPEYNFYRMAGMAIDGKDKGEAENEAKP
IDVKSLLP

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: 7nyu Chain I Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7nyu Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
• Resolution: 3.8 Å
• Binding residue (original residue number in PDB): I48 C70 V72 C99 I100 F101 C102 G103 C105
• Binding residue (residue number reindexed from 1): I26 C48 V50 C77 I78 F79 C80 G81 C83
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.1.1.-

Gene Ontology

Molecular Function

• GO:0003954 NADH dehydrogenase activity
• GO:0005506 iron ion binding
• GO:0016651 oxidoreductase activity, acting on NAD(P)H
• GO:0046872 metal ion binding
• GO:0048038 quinone binding
• GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009060 aerobic respiration
• GO:0022904 respiratory electron transport chain

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0030964 NADH dehydrogenase complex
• GO:0045271 respiratory chain complex I

External links

• PDB: RCSB:7nyu, PDBe:7nyu, PDBj:7nyu
• PDBsum: 7nyu
• PubMed: 34308841
• UniProt: P0AFD6|NUOI_ECOLI NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)