MolNFT v1 · #17083 · protein
4-aminobutyrate-aminotransferase inactivated by gamma-vinyl GABA
1OHW · 4-aminobutyrate aminotransferase: “4-aminobutyrate-aminotransferase inactivated by gamma-vinyl GABA”. X-ray diffraction, 3 ligands (PLP, VIG, FES), 20 pockets (best druggability 0.78). MolNFT v1 #17083 on GenesisL1: 3D structure…
- PDB
- 1OHW
- 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, VIG, FES
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 43% 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 | 43% helix, 15% strand | P80147 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- VIG · 4-amino hexanoic 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
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.78 | 0.86 | 61 | FES, PLP, VIG |
| 2 | 412 | 0.77 | 0.86 | 57 | PLP, VIG |
| 3 | 412 | 0.76 | 0.85 | 59 | PLP, VIG |
| 4 | 73 | 0.75 | 0.98 | 20 | empty |
| 5 | 419 | 0.75 | 0.85 | 59 | PLP, VIG |
Interfaces
2 interfaces between chains.
- C–D · 5490 Ų buried · 73 hydrogen bonds · protein-protein
- A–B · 5486 Ų buried · 74 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 1OHW · 4-AMINOBUTYRATE-AMINOTRANSFERASE inactivated by gamma-vinyl 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 B 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 1OHW · PDBe 1OHW · UniProt P80147
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