Structure of PDB 2nuk Chain A Binding Site BS01

Receptor Information

>2nuk Chain A (length=141) Species: 1063 (Cereibacter sphaeroides)

LASIFVDVSSVEPGVQLTVKFLGKPIFIRRRTEADIELGRSVQLGQLVDT
NARNANIDAGAEATDQNRTLDEAGEWLVMWGVCTHLGCVPIGGVSGDFGG
WFCPCHGSHYDSAGRIRKGPAPENLPIPLAKFIDETTIQLG

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: 2nuk Chain A Residue 200

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nuk Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): C129 H131 L132 C134 C149 C151 H152 S154
• Binding residue (residue number reindexed from 1): C83 H85 L86 C88 C103 C105 H106 S108
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H152
• Catalytic site (residue number reindexed from 1): H106
• Enzyme Commision number: 7.1.1.8: quinol--cytochrome-c reductase.

Gene Ontology

Molecular Function

• GO:0008121 ubiquinol-cytochrome-c reductase activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2nuk, PDBe:2nuk, PDBj:2nuk
• PDBsum: 2nuk
• PubMed: 17223530
• UniProt: Q02762|UCRI_CERSP Ubiquinol-cytochrome c reductase iron-sulfur subunit (Gene Name=petA)