MolNFT v1 · #7910 · protein
Branched-chain alpha-ketoacid dehydrogenase kinase (bck)
1GKX · [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase: “Branched-chain alpha-ketoacid dehydrogenase kinase (bck)”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.65). MolNFT v1 #7910 on GenesisL1: 3D…
- PDB
- 1GKX
- Type
- protein
- Length
- 308 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase
- EC
- 2.7.1.115
- UniProt
- Q00972
- Ligands
- CL
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase (EC 2.7.1.115) | protein | 308 | 52% helix, 16% strand | Q00972 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.65 | 0.92 | 16 | CL |
| 2 | 63 | 0.57 | 0.89 | 12 | empty |
| 3 | 171 | 0.51 | 0.78 | 27 | empty |
| 4 | 171 | 0.44 | 0.74 | 22 | empty |
| 5 | 54 | 0.34 | 0.78 | 10 | CL |
Compared structures
- 1GKX · Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) · the same entry in another collection · chain A against A, TM-score 1.00
- Q00972 · AlphaFold monomer V2.0 prediction for [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]]… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q00972
- Elsewhere: RCSB PDB 1GKX · PDBe 1GKX · UniProt Q00972
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