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PDBsum entry 3tgu

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protein ligands Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
3tgu
Jmol
Contents
Protein chains
443 a.a.
421 a.a.
380 a.a.
241 a.a.
196 a.a.
101 a.a.
80 a.a.
70 a.a.
52 a.a.
61 a.a.
Ligands
UNL ×2
HEM ×4
WF3 ×2
_UQ ×2
CDL ×4
PEE ×6
GOL ×2
HEC ×2
BOG ×5
FES ×2
Waters ×21
PDB id:
3tgu
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Cytochrome bc1 complex from chicken with pfvs-designed moa i bound
Structure: Mitochondrial ubiquinol-cytochromE-C reductase co protein i. Chain: a, n. Synonym: uqcrc1. Mitochondrial ubiquinol-cytochromE-C reductase co protein 2. Chain: b, o. Synonym: uqcrc2. Cytochrome b.
Source: Gallus gallus. Bantam,chickens. Organism_taxid: 9031. Organism_taxid: 9031
Resolution:
2.70Å     R-factor:   0.258     R-free:   0.289
Authors: L.-S.Huang,G.-F.Yang,E.A.Berry
Key ref: G.F.Hao et al. (2012). Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. J Am Chem Soc, 134, 11168-11176. PubMed id: 22690928 DOI: 10.1021/ja3001908
Date:
17-Aug-11     Release date:   04-Jul-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
D0VX31  (D0VX31_CHICK) -  Mitochondrial ubiquinol-cytochrome-c reductase complex core protein i
Seq:
Struc:
446 a.a.
443 a.a.
Protein chains
Pfam   ArchSchema ?
D0VX29  (D0VX29_CHICK) -  Mitochondrial ubiquinol-cytochrome-c reductase complex core protein 2
Seq:
Struc:
441 a.a.
421 a.a.
Protein chains
Pfam   ArchSchema ?
P18946  (CYB_CHICK) -  Cytochrome b
Seq:
Struc:
380 a.a.
380 a.a.*
Protein chains
No UniProt id for this chain
Struc: 241 a.a.
Protein chains
Pfam   ArchSchema ?
D0VX26  (D0VX26_CHICK) -  Mitochondrial cytochrome c1, heme protein
Seq:
Struc:
241 a.a.
196 a.a.*
Protein chains
Pfam   ArchSchema ?
Q5ZLR5  (UCRI_CHICK) -  Cytochrome b-c1 complex subunit Rieske, mitochondrial
Seq:
Struc:
272 a.a.
196 a.a.
Protein chains
Pfam   ArchSchema ?
D0VX30  (D0VX30_CHICK) -  Cytochrome b-c1 complex subunit 7
Seq:
Struc:
110 a.a.
101 a.a.
Protein chains
Pfam   ArchSchema ?
D0VX32  (D0VX32_CHICK) -  Mitochondrial ubiquinol-cytochrome c reductase ubiquinone-binding protein qp-c
Seq:
Struc:
81 a.a.
80 a.a.
Protein chains
Pfam   ArchSchema ?
D0VX28  (D0VX28_CHICK) -  Cytochrome b-c1 complex subunit 6
Seq:
Struc:
77 a.a.
70 a.a.
Protein chains
Pfam   ArchSchema ?
Q5ZLR5  (UCRI_CHICK) -  Cytochrome b-c1 complex subunit Rieske, mitochondrial
Seq:
Struc:
272 a.a.
52 a.a.*
Protein chains
Pfam   ArchSchema ?
D0VX27  (D0VX27_CHICK) -  Mitochondrial ubiquinol-cytochrome c reductase 7.2 kda protein
Seq:
Struc:
61 a.a.
61 a.a.
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 179 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: Chains A, B, E, G, I, J, N, O, Q, R, T, V, W: E.C.1.10.2.2  - Quinol--cytochrome-c reductase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Quinol + 2 ferricytochrome c = quinone + 2 ferrocytochrome c + 2 H+
Quinol
Bound ligand (Het Group name = UQ)
matches with 82.61% similarity
+
2 × ferricytochrome c
Bound ligand (Het Group name = HEM)
matches with 63.64% similarity
= quinone
+ 2 × ferrocytochrome c
+ 2 × H(+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   8 terms 
  Biological process     mitochondrial electron transport, ubiquinol to cytochrome c   5 terms 
  Biochemical function     catalytic activity     9 terms  

 

 
    reference    
 
 
DOI no: 10.1021/ja3001908 J Am Chem Soc 134:11168-11176 (2012)
PubMed id: 22690928  
 
 
Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
G.F.Hao, F.Wang, H.Li, X.L.Zhu, W.C.Yang, L.S.Huang, J.W.Wu, E.A.Berry, G.F.Yang.
 
  ABSTRACT  
 
No abstract given.