Structure of PDB 7r41 Chain E Binding Site BS01

Receptor Information

>7r41 Chain E (length=213) Species: 9913 (Bos taurus)

ALFVHRDTPENNPETPFDFTPENYKRIEAIVKNYPEGHKAAAVLPVLDLA
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: 7r41 Chain E Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r41 Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C103 P107 C108 C144 L145 A147 C148
• Binding residue (residue number reindexed from 1): C99 P103 C104 C140 L141 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:0008137 NADH dehydrogenase (ubiquinone) 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
• 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:7r41, PDBe:7r41, PDBj:7r41
• PDBsum: 7r41
• PubMed: 36701435
• UniProt: P04394|NDUV2_BOVIN NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (Gene Name=NDUFV2)