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MolNFT v1 · #19199 · protein

Crystal structure of bovine mitochondrial cytochrome BC1 complex, alpha carbon atoms only

1QCR · Ubiquinol cytochrome C oxidoreductase: “Crystal structure of bovine mitochondrial cytochrome BC1 complex, alpha carbon atoms only”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.38). MolNFT v1 #19199 on…

PDB
1QCR
Type
protein
Length
1,883 residues
Chains
11
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquinol cytochrome C oxidoreductase
EC
1.10.2.2
UniProt
P31800, P23004, P00157, P00125, P13272, P00129, P13271, P00126, P00130, P07552
Ligands
HEM
Pockets
4 · best druggability 0.38

Structure

x-ray diffraction · 11 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein4460% helix, 0% strandP31800
BUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein4230% helix, 0% strandP23004
CUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein3780% helix, 0% strandP00157
DUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein750% helix, 0% strandP00125
EUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein1960% helix, 0% strandP13272
FUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein1030% helix, 0% strandP00129
GUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein700% helix, 0% strandP13271
HUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein600% helix, 0% strandP00126
IUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein280% helix, 0% strandP13272
JUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein590% helix, 0% strandP00130
KUbiquinol cytochrome C oxidoreductase (EC 1.10.2.2)protein450% helix, 0% strandP07552

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.380.7326empty
2690.320.7324empty
3660.310.7328empty
4530.280.7218empty

Interfaces

15 interfaces between chains.

  • A–B · 276 Ų buried · 0 hydrogen bonds · protein-protein
  • A–G · 185 Ų buried · 0 hydrogen bonds · protein-protein
  • D–G · 167 Ų buried · 0 hydrogen bonds · protein-protein
  • C–F · 137 Ų buried · 0 hydrogen bonds · protein-protein
  • A–E · 125 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1QCR · Crystal structure of bovine mitochondrial cytochrome BC1 complex, alpha carbon atoms only · the same entry in another collection · chain J against J, TM-score 1.00
  • P31800 · AlphaFold monomer V2.0 prediction for cytochrome B-C1 complex subunit 1, mitochondrial… · a predicted model of the same protein · chain A against A, TM-score 0.98

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