MolNFT v1 · #21577 · protein
Structure of E. COLI gamma-aminobutyrate aminotransferase
1SF2 · 4-aminobutyrate aminotransferase: “Structure of E. COLI gamma-aminobutyrate aminotransferase”. X-ray diffraction, 2 ligands (PLP, SO4), 15 pockets (best druggability 0.81). MolNFT v1 #21577 on GenesisL1: 3D structure, binding sites…
- PDB
- 1SF2
- 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, SO4
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% 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, 20% strand | P22256 |
Ligands and binding sites
- PLP · Pyridoxal-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 · 13 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.81 | 0.95 | 50 | EDO |
| 2 | 212 | 0.81 | 0.95 | 51 | EDO |
| 3 | 533 | 0.79 | 0.86 | 70 | empty |
| 4 | 613 | 0.78 | 0.84 | 90 | SO4, PLP |
| 5 | 410 | 0.76 | 0.85 | 63 | PLP |
Interfaces
6 interfaces between chains.
- C–D · 4806 Ų buried · 92 hydrogen bonds · protein-protein
- A–B · 4750 Ų buried · 95 hydrogen bonds · protein-protein
- B–D · 1184 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1114 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1SF2 · Structure of E. coli gamma-aminobutyrate aminotransferase · 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 1SF2 · PDBe 1SF2 · UniProt P22256
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