MolNFT v1 · #114672 · protein
X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a pyrazolopyrimidinone fragment and an internal aldimine linked plp.
5BWT · Branched-chain-amino-acid aminotransferase, mitochondrial: “X-ray crystal structure at 2.20A resolution of human mitochondrial branched chain aminotransferase (bcatm)…”. X-ray diffraction, 3 ligands (PLP, 4VS, CL), 6 pockets (best…
- PDB
- 5BWT
- Type
- protein
- Length
- 717 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain-amino-acid aminotransferase, mitochondrial
- EC
- 2.6.1.42
- UniProt
- O15382
- Ligands
- PLP, 4VS, CL
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Branched-chain-amino-acid aminotransferase, mitochondrial (EC 2.6.1.42) | protein | 360 | 26% helix, 31% strand | O15382 |
| B | Branched-chain-amino-acid aminotransferase, mitochondrial (EC 2.6.1.42) | protein | 357 | 25% helix, 31% strand | O15382 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- 4VS · 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.77 | 0.88 | 48 | PLP, 4VS |
| 2 | 310 | 0.76 | 0.87 | 47 | PLP, 4VS |
| 3 | 132 | 0.72 | 0.91 | 38 | empty |
| 4 | 200 | 0.57 | 0.80 | 29 | empty |
| 5 | 189 | 0.55 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2452 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- O15382 · AlphaFold monomer V2.0 prediction for branched-chain-amino-acid aminotransferase… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O15382
- Elsewhere: RCSB PDB 5BWT · PDBe 5BWT · UniProt O15382
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.