MolNFT v1 · #22242 · protein
The structure of gamma-aminobutyrate aminotransferase mutant: E211S
1SZK · 4-aminobutyrate aminotransferase: “The structure of gamma-aminobutyrate aminotransferase mutant: E211S”. X-ray diffraction, 2 ligands (PMP, SO4), 18 pockets (best druggability 0.81). MolNFT v1 #22242 on GenesisL1: 3D structure…
- PDB
- 1SZK
- 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
- PMP, SO4
- Pockets
- 18 · 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
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 15 copies · chains A, C, B, D
- EDO · 1,2-ethanediol · additive · 13 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.81 | 0.95 | 50 | EDO |
| 2 | 501 | 0.81 | 0.88 | 83 | SO4, EDO |
| 3 | 515 | 0.78 | 0.85 | 69 | empty |
| 4 | 432 | 0.77 | 0.86 | 57 | SO4, PMP |
| 5 | 423 | 0.76 | 0.85 | 59 | SO4, PMP |
Interfaces
6 interfaces between chains.
- C–D · 4764 Ų buried · 83 hydrogen bonds · protein-protein
- A–B · 4764 Ų buried · 88 hydrogen bonds · protein-protein
- B–D · 1184 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1094 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 29 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1SZK · The structure of gamma-aminobutyrate aminotransferase mutant: E211S · 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 1SZK · PDBe 1SZK · UniProt P22256
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