MolNFT v1 · #189352 · protein
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7
7VBV: “Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7”. X-ray diffraction, 2 ligands (67V, CL). MolNFT v1 #189352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VBV
- Type
- protein
- Length
- 673 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q15119
- Ligands
- 67V, CL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 337 | — | Q15119 |
| B | — | protein | 336 | — | Q15119 |
Ligands and binding sites
- 67V · methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- ACT · Acetate ion · additive · 5 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7VBV · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q15119
- Elsewhere: RCSB PDB 7VBV · PDBe 7VBV · UniProt Q15119
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