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MolNFT v1 · #145151 · protein

Human pyruvate dehydrogenase E1 component complex with covalent tdp adduct acetyl phosphinate

6CFO: “Human pyruvate dehydrogenase E1 component complex with covalent tdp adduct acetyl phosphinate”. X-ray diffraction, 2 ligands (A5X, MG). MolNFT v1 #145151 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6CFO
Type
protein
Length
1,384 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P08559, P11177
Ligands
A5X, MG

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein362—P08559
B, D—protein330—P11177

Ligands and binding sites

  • A5X · 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy) phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium · ligand · 2 copies · chains A, D, B, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C

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

Compared structures

  • P11177 · AlphaFold monomer V2.0 prediction for pyruvate dehydrogenase E1 component subunit beta… · a predicted model of the same protein · chain B against A, TM-score 1.00

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