MolNFT v1 · #165050 · protein
Crystal structure of branched-chain aminotransferase from thermophilic archaea thermoproteus uzoniensis with norvaline
6THQ · Branched-chain-amino-acid aminotransferase: “Crystal structure of branched-chain aminotransferase from thermophilic archaea thermoproteus uzoniensis with…”. X-ray diffraction, 2 ligands (PLP, PY5), 12 pockets (best druggability…
- PDB
- 6THQ
- Type
- protein
- Length
- 894 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain-amino-acid aminotransferase
- EC
- 2.6.1.42
- UniProt
- F2L0W0
- Ligands
- PLP, PY5
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Branched-chain-amino-acid aminotransferase (EC 2.6.1.42) | protein | 297 | 32% helix, 29% strand | F2L0W0 |
| B | Branched-chain-amino-acid aminotransferase (EC 2.6.1.42) | protein | 301 | 31% helix, 29% strand | F2L0W0 |
| C | Branched-chain-amino-acid aminotransferase (EC 2.6.1.42) | protein | 296 | 32% helix, 30% strand | F2L0W0 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 3 copies · chains A, B, C
- PY5 · 2-[O-phosphonopyridoxyl]-amino-pentanoic acid · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.79 | 0.97 | 32 | PLP, PY5 |
| 2 | 133 | 0.79 | 0.97 | 34 | PLP, PY5 |
| 3 | 170 | 0.61 | 0.83 | 31 | PLP, PY5 |
| 4 | 161 | 0.51 | 0.78 | 27 | empty |
| 5 | 242 | 0.51 | 0.75 | 35 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2483 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 795 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 558 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6THQ · Crystal structure of branched-chain aminotransferase from thermophilic archaea… · the same entry in another collection · chain A against A, TM-score 1.00
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 F2L0W0
- Elsewhere: RCSB PDB 6THQ · PDBe 6THQ · UniProt F2L0W0
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