Structure of PDB 6nin Chain U Binding Site BS01

Receptor Information

>6nin Chain U (length=179) Species: 272943 (Cereibacter sphaeroides 2.4.1)

GTRRDFLYYATAGAGAVATGAAVWPLINQMNPSADVQALASIFVDVSSVE
PGVQLTVKFLGCPIFIRRRTEADIELGRSVQLGQLVDTNARNANIDAGAE
ATDQNRTLDEAGEWLVMWGVCTHLGCVPIGGVSGDFGGWFCPCHGSHYDS
AGRIRKGPAPENLPIPLAKFIDETTIQLG

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: 6nin Chain U Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nin Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
• Resolution: 3.6 Å
• Binding residue (original residue number in PDB): C129 H131 L132 C149 H152 S154
• Binding residue (residue number reindexed from 1): C121 H123 L124 C141 H144 S146
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H152
• Catalytic site (residue number reindexed from 1): H144
• Enzyme Commision number: 7.1.1.8: quinol--cytochrome-c reductase.

Gene Ontology

Molecular Function

• GO:0008121 ubiquinol-cytochrome-c reductase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:6nin, PDBe:6nin, PDBj:6nin
• PDBsum: 6nin
• PubMed: 31182483
• UniProt: Q3IY09