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MolNFT v1 · #124668 · protein

Structure of bos taurus cytochrome BC1 with fenamidone inhibited

5KLV: “Structure of bos taurus cytochrome BC1 with fenamidone inhibited”. X-ray diffraction, 10 ligands (CDL, 6PE, HEM). MolNFT v1 #124668 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KLV
Type
protein
Length
2,077 residues
Chains
11
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31800, P23004, P00157, P00125, P13272, P00129, P13271, P00126, P00130, P07552
Ligands
CDL, 6PE, HEM, FNM, 8PE, HEC, PEF, FES, PX4, CL

Structure

x-ray diffraction · 11 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein446—P31800
B—protein425—P23004
C—protein377—P00157
D—protein241—P00125
E—protein196—P13272
F—protein105—P00129
G—protein75—P13271
H—protein67—P00126
I—protein34—P13272
J—protein61—P00130
K—protein50—P07552

Ligands and binding sites

  • CDL · Cardiolipin · ligand · 3 copies · chains A, C, K, D, F, G
  • 6PE · 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine · ligand · 2 copies · chains A, C, K
  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains C
  • FNM · (5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one · ligand · chains C
  • 8PE · (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate · ligand · chains C, F
  • HEC · Heme C · ligand · chains D
  • PEF · Di-palmitoyl-3-sn-phosphatidylethanolamine · ligand · chains C, D, J
  • FES · Fe2/s2 (inorganic) cluster · ligand · chains E
  • PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · chains A, C, J, K
  • CL · Chloride ion · ion · chains C
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Compared structures

  • 5KLV · Structure of bos taurus cytochrome bc1 with fenamidone inhibited · the same entry in another collection · chain K against K, TM-score 1.00
  • P00157 · AlphaFold monomer V2.0 prediction for cytochrome B (P00157) · a predicted model of the same protein · chain C against A, TM-score 1.00

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