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Crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei
Analyse Crystal structure of branched-chain amino acid aminotransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3U0G
- Type
- protein
- Length
- 1,797 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative branched-chain amino acid aminotransferase ilve
- EC
- 2.6.1.42
- UniProt
- Q63WU8
- Ligands
- PO4, CL
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative branched-chain amino acid aminotransferase ilve (EC 2.6.1.42) | protein | 303 | 30% helix, 29% strand | Q63WU8 |
| B | Putative branched-chain amino acid aminotransferase ilve (EC 2.6.1.42) | protein | 295 | 29% helix, 31% strand | Q63WU8 |
| C, D | Putative branched-chain amino acid aminotransferase ilve (EC 2.6.1.42) | protein | 299 | 29% helix, 30% strand | Q63WU8 |
| E | Putative branched-chain amino acid aminotransferase ilve (EC 2.6.1.42) | protein | 296 | 32% helix, 28% strand | Q63WU8 |
| F | Putative branched-chain amino acid aminotransferase ilve (EC 2.6.1.42) | protein | 305 | 31% helix, 29% strand | Q63WU8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · 3 copies · chains C, E, A, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1070 | 0.84 | 0.85 | 105 | GOL |
| 2 | 1062 | 0.84 | 0.85 | 115 | GOL |
| 3 | 263 | 0.77 | 0.90 | 32 | empty |
| 4 | 334 | 0.74 | 0.86 | 45 | PO4, CL |
| 5 | 340 | 0.73 | 0.85 | 51 | PO4, CL |
Interfaces
12 interfaces between chains.
- A–B · 2524 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 2504 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 2490 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 857 Ų buried · 11 hydrogen bonds · protein-protein
- D–F · 842 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3U0G · Crystal structure of branched-chain amino acid aminotransferase from burkholderia… · 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 Q63WU8
- Elsewhere: RCSB PDB 3U0G · PDBe 3U0G · UniProt Q63WU8
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