Structure of PDB 7p61 Chain B Binding Site BS01

Receptor Information

>7p61 Chain B (length=191) Species: 469008 (Escherichia coli BL21(DE3))

MDYTLTRIPLQKQEIVTDPLEQNVFMGKLNDMVNWGRKNSIWPYNFGLSC
CYVEMVTSASPRQADLMVVAGTCFTKMAPVIQRLYDQMLEPKWVISMGAC
ANSGGMYDIYSVVQGVDKFIPVDVYIPGCPPRPEAYMQALMLLQESIGKE
RRPLSWVVGDQGVYRANMQSERERKRGERIAVTNLRTPDEI

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: 7p61 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7p61 A universal coupling mechanism of respiratory complex I.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): C63 C64 G100 G127 C129 C158 P159
• Binding residue (residue number reindexed from 1): C50 C51 G71 G98 C100 C129 P130
• 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:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0046872 metal ion binding
• GO:0048038 quinone binding
• GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009060 aerobic respiration
• GO:0015990 electron transport coupled proton transport
• 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:7p61, PDBe:7p61, PDBj:7p61
• PDBsum: 7p61
• PubMed: 36104567
• UniProt: P0AFC7|NUOB_ECOLI NADH-quinone oxidoreductase subunit B (Gene Name=nuoB)