Research workbench
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
Analyse Structural analysis of mycobacterial branched chain aminotransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DTF
- 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
- SO4
- Pockets
- 6 · best druggability 0.77
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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.77 | 0.96 | 26 | empty |
| 2 | 409 | 0.76 | 0.85 | 59 | GOL, SO4 |
| 3 | 544 | 0.75 | 0.82 | 70 | GOL, SO4 |
| 4 | 78 | 0.46 | 0.82 | 21 | empty |
| 5 | 58 | 0.44 | 0.83 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2224 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 3DTF · Structural analysis of mycobacterial branched chain aminotransferase- implications for… · 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 3DTF · PDBe 3DTF · UniProt A0R066
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