Structure of PDB 8b6f Chain AD Binding Site BS01

Receptor Information

>8b6f Chain AD (length=441) Species: 312017 (Tetrahymena thermophila SB210)

SYGNLKDQDRIFTNLYRDGDPFVKGALKRGDWHQTKEILSNGPEWIIDEI
KKSGLRGRGGAGFLSGLKYSFMPKVNPDGRPSYLVINSDESEPGTCKDRE
ILRNDPHKLVEGALVVGFSMRARAAYIYIRGEFWVEANILQQAIDEAYAK
GFIGKNACGSGYDFDVYIHRGAGAYICGEETGLIESIEGKAGQPRVKPPF
PANAGLYGCPTTVTNVETVAVCPTIMRRGASWFASFGRPNNAGTKLYCIS
GHVNNPCTVEEEMSIPLRELLEKHCGGVRGGWDNLLAVIPGGSSVPMMPK
NVCDDVLMDFDALKAVGSGLGTAAVIVMDKSTDPIDAILRLSKFYKHESC
GQCTPCREGTGWIVDVMERLLVGNADYAEIDMLQQVTQQIEMHTICALGD
AAAWPVQGLIKNFREEIEDRIDSYHAKHPQLKKSRKSNPQI

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: 8b6f Chain AD Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8b6f Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): I206 P224 C380 G381 Q382 C383 C386 C426 L428
• Binding residue (residue number reindexed from 1): I176 P194 C350 G351 Q352 C353 C356 C396 L398
• 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:8b6f, PDBe:8b6f, PDBj:8b6f
• PDBsum: 8b6f
• PubMed: 36949187
• UniProt: Q23KE4