Research workbench
4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl GABA
Analyse 4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl GABA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OHY
- Type
- protein
- Length
- 1,844 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-aminobutyrate aminotransferase
- EC
- 2.6.1.19
- UniProt
- P80147
- Ligands
- PLP, GEG, FES
- Pockets
- 18 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 4-aminobutyrate aminotransferase (EC 2.6.1.19) | protein | 461 | 44% helix, 15% strand | P80147 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- GEG · (4E)-4-aminohex-4-enoic acid · ligand · 4 copies · chains A, B, C, D
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.76 | 0.85 | 58 | PLP, GEG |
| 2 | 69 | 0.75 | 0.99 | 21 | empty |
| 3 | 427 | 0.75 | 0.84 | 62 | PLP, GEG, FES |
| 4 | 423 | 0.75 | 0.84 | 59 | PLP, GEG |
| 5 | 68 | 0.74 | 0.98 | 20 | empty |
Interfaces
2 interfaces between chains.
- C–D · 5439 Ų buried · 81 hydrogen bonds · protein-protein
- A–B · 5438 Ų buried · 79 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 1OHY · 4-AMINOBUTYRATE-AMINOTRANSFERASE inactivated by gamma-ethynyl GABA · the same entry in another collection · chain D against D, TM-score 1.00
- P80147 · AlphaFold monomer V2.0 prediction for 4-aminobutyrate aminotransferase, mitochondrial… · a predicted model of the same protein · chain C 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 P80147
- Elsewhere: RCSB PDB 1OHY · PDBe 1OHY · UniProt P80147
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