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MolNFT v1 · #189351 · protein

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5

7VBU: “Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5”. X-ray diffraction, 2 ligands (6I4, CL). MolNFT v1 #189351 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7VBU
Type
protein
Length
340 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q15119
Ligands
6I4, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein340—Q15119

Ligands and binding sites

  • 6I4 · 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • ACT · Acetate ion · additive · 3 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Compared structures

  • 7VBU · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15119 · AlphaFold monomer V2.0 prediction for [pyruvate dehydrogenase (acetyl-transferring)]… · a predicted model of the same protein · chain A against A, TM-score 0.97

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