MolNFT v1 · #22252 · protein
The structure of gamma-aminobutyrate aminotransferase mutant: V241A
1SZU · 4-aminobutyrate aminotransferase: “The structure of gamma-aminobutyrate aminotransferase mutant: V241A”. X-ray diffraction, 3 ligands (PLP, PMP, SO4), 16 pockets (best druggability 0.82). MolNFT v1 #22252 on GenesisL1: 3D structure…
- PDB
- 1SZU
- Type
- protein
- Length
- 1,700 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
- P22256
- Ligands
- PLP, PMP, SO4
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 4-aminobutyrate aminotransferase (EC 2.6.1.19) | protein | 425 | 42% helix, 19% strand | P22256 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 11 copies · chains A, C, B, D
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.82 | 0.95 | 57 | EDO |
| 2 | 208 | 0.81 | 0.95 | 51 | EDO |
| 3 | 490 | 0.78 | 0.86 | 68 | empty |
| 4 | 368 | 0.75 | 0.86 | 62 | PLP, PMP |
| 5 | 430 | 0.75 | 0.84 | 62 | EDO, PLP, PMP |
Interfaces
6 interfaces between chains.
- C–D · 4777 Ų buried · 92 hydrogen bonds · protein-protein
- A–B · 4763 Ų buried · 84 hydrogen bonds · protein-protein
- B–D · 1191 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1114 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 40 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1SZU · The structure of gamma-aminobutyrate aminotransferase mutant: V241A · the same entry in another collection · chain D against D, TM-score 1.00
- P22256 · AlphaFold monomer V2.0 prediction for 4-aminobutyrate aminotransferase gabt (P22256) · a predicted model of the same protein · 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 P22256
- Elsewhere: RCSB PDB 1SZU · PDBe 1SZU · UniProt P22256
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