Structure of PDB 6zkh Chain 2 Binding Site BS01

Receptor Information

>6zkh Chain 2 (length=213) Species: 9940 (Ovis aries)

ALFVHRDTPKNNPETPFDFTPENYKRIEAIVKNYPEGHKAAAVLPVLDLA
QRQNGWLPISAMNKVAEILQVPPMRVYEVATFYTMYNRKPVGKYHIQVCT
TTPCMLRNSDSILEAIQKKLGIKVGETTPDKLFTLIEVECLGACVNAPMV
QINDNYYEDLTPKDIEEIIDELKAGKIPKPGPRSGRFSCEPAGGLTSLTE
PPKGPGFGVQAGL

Ligand information

• Ligand ID: FES
• InChI: InChI=1S/2Fe.2S
• InChIKey: NIXDOXVAJZFRNF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: [Fe]1S[Fe]S1
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: S1[Fe]S[Fe]1
• Formula: Fe2 S2
• Name: FE2/S2 (INORGANIC) CLUSTER
• PDB chain: 6zkh Chain 2 Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zkh The coupling mechanism of mammalian respiratory complex I.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): C103 T105 P107 C108 C144 G146 A147 C148
• Binding residue (residue number reindexed from 1): C99 T101 P103 C104 C140 G142 A143 C144
• Annotation score: 1

Enzymatic activity

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

Gene Ontology

Molecular Function

• GO:0003954 NADH dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0006120 mitochondrial electron transport, NADH to ubiquinone

Cellular Component

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

External links

• PDB: RCSB:6zkh, PDBe:6zkh, PDBj:6zkh
• PDBsum: 6zkh
• PubMed: 32972993
• UniProt: W5NRY1