PDBsum entry 4u3f

Oxidoreductase/oxidoreductase inhibitor

PDB id: 4u3f

Contents

Protein chains

443 a.a.

421 a.a.

380 a.a.

241 a.a.

196 a.a.

101 a.a.

80 a.a.

68 a.a.

44 a.a.

61 a.a.

Ligands

PEE ×14

HEM ×4

Y52 ×2

U10 ×2

MES

GOL ×2

HEC ×2

CDL ×4

BOG ×3

FES ×2

Waters ×11

PDB id:

4u3f

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Cytochrome bc1 complex from chicken with designed inhibitor bound

Structure:

Mitochondrial ubiquinol-cytochromE-C reductase complex core protein i. Chain: a, n. Mitochondrial ubiquinol-cytochromE-C reductase complex core protein 2. Chain: b, o. Cytochrome b. Chain: c, p. Synonym: complex iii subunit 3,complex iii subunit iii,cytochrome b-

Source:

Gallus gallus. Chicken. Organism_taxid: 9031. Tissue: heart. Organism_taxid: 9031

Resolution:

3.23Å R-factor: 0.237 R-free: 0.284

Authors:

L.-S.Huang,X.-L.Zhu,G.F.Yang,E.A.Berry

Key ref:

G.-F.Hao et al. Discovery of a novel cytochrome bc1 inhibitor as pote fungicide by computational substitution optimization. To be published, .

Date:

21-Jul-14 Release date: 29-Jul-15

Protein chains

F1NAC6  (F1NAC6_CHICK) -

Protein chains

F1P582  (F1P582_CHICK) -

Protein chains

P18946  (CYB_CHICK) -  Cytochrome b from Gallus gallus

Seq: 380 a.a.

Struc: 380 a.a.*

Protein chains

D0VX26  (D0VX26_CHICK) -  Cytochrome c from Gallus gallus

Seq: 241 a.a.

Struc: 241 a.a.

Protein chains

Q5ZLR5  (UCRI_CHICK) -  Cytochrome b-c1 complex subunit Rieske, mitochondrial from Gallus gallus

Seq: 272 a.a.

Struc: 196 a.a.

Protein chains

D0VX30  (D0VX30_CHICK) -  Cytochrome b-c1 complex subunit 7 from Gallus gallus

Seq: 110 a.a.

Struc: 101 a.a.

Protein chains

D0VX32  (D0VX32_CHICK) -  Cytochrome b-c1 complex subunit 8 from Gallus gallus

Seq: 81 a.a.

Struc: 80 a.a.

Protein chains

D0VX28  (D0VX28_CHICK) -  Cytochrome b-c1 complex subunit 6 from Gallus gallus

Seq: 77 a.a.

Struc: 68 a.a.

Protein chains

Q5ZLR5  (UCRI_CHICK) -  Cytochrome b-c1 complex subunit Rieske, mitochondrial from Gallus gallus

Seq: 272 a.a.

Struc: 44 a.a.*

Protein chains

F1NC51  (F1NC51_CHICK) -  Complex III subunit 9 from Gallus gallus

Seq: 62 a.a.

Struc: 61 a.a.

* PDB and UniProt seqs differ at 15 residue positions (black crosses)

Enzyme reactions

• Enzyme class: Chains E, I, R, V: E.C.7.1.1.8 - quinol--cytochrome-c reductase.
• Reaction: a quinol + 2 Fe(III)-[cytochrome c](out) = a quinone + 2 Fe(II)- [cytochrome c](out) + 2 H(+)(out)

quinol + 2 × Fe(III)-[cytochrome c](out) = quinone (Bound ligand (Het Group name = U10) matches with 42.11% similarity) + 2 × Fe(II)- [cytochrome c](out) + 2 × H(+)(out)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site