Research workbench
Crystal structure of mycobacterium smegmatis branched chain aminotransferase in complex with pyridoxal-5'-phosphate at 1.9 ångström.
Analyse Crystal structure of mycobacterium smegmatis branched chain aminotransferase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JZ6
- Type
- protein
- Length
- 726 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain amino acid aminotransferase
- EC
- 2.6.1.42
- UniProt
- A0R066
- Ligands
- PLP
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Branched-chain amino acid aminotransferase (EC 2.6.1.42) | protein | 363 | 27% helix, 31% strand | A0R066 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.79 | 0.97 | 26 | empty |
| 2 | 329 | 0.78 | 0.88 | 49 | PLP, GOL |
| 3 | 405 | 0.74 | 0.84 | 48 | PLP, GOL |
| 4 | 54 | 0.56 | 0.90 | 23 | empty |
| 5 | 95 | 0.50 | 0.82 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2232 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 3JZ6 · Crystal structure of Mycobacterium smegmatis Branched Chain Aminotransferase in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- A0R066 · AlphaFold monomer V2.0 prediction for branched-chain-amino-acid aminotransferase (A0R066) · a predicted model of the same protein · chain A 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 A0R066
- Elsewhere: RCSB PDB 3JZ6 · PDBe 3JZ6 · UniProt A0R066
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