Structure of PDB 8esz Chain V1 Binding Site BS03

Receptor Information

>8esz Chain V1 (length=438) Species: 7227 (Drosophila melanogaster)

GTPPPQTKTKFGPLADEDRIFTNLYGRHDWRLKGALKRGDWYKTKEIVLK
GADWIVNEIKTSGLRGRGGAGFPSGMKWSFMNKPGDGRPKYLVVNADEGE
PGTCKDREIMRHDPHKLVEGCLIAGRAMGAQAAYIYIRGEFYNEASNMQL
AIAEAYQAGLIGKNACGTGYDFDVFMHRGAGAYICGEETALIESLEGKQG
KPRLKPPFPADVGVFGCPTTVTNVETVAVAPTICRRGGVWFASFGRTRNS
GTKLFNISGHVNRPCTVEEEMSIPLKELIERHCGGVTGGWDNLLGVIPGG
SSTPIIPKNVCDDVIMDFDGLIAAQTSLGTAAIIVMDKSTDVIKAIARLI
SFYKHESCGQCTPCREGIGWMNKIMTRFVKGDAQPAEIDMLWEISKQIEG
HTICALGDGAAWPVQGLIRHFRPEIEKRMQLHAKRVSN

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: 8esz Chain V1 Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8esz Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): I220 P238 C394 G395 Q396 C397 C400 T438 I439 C440
• Binding residue (residue number reindexed from 1): I184 P202 C358 G359 Q360 C361 C364 T402 I403 C404
• 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:1902600 proton transmembrane transport

Cellular Component

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

External links

• PDB: RCSB:8esz, PDBe:8esz, PDBj:8esz
• PDBsum: 8esz
• PubMed: 36952377
• UniProt: Q9VMI3