MolNFT v1 · #178633 · protein
Crystal structure of 4-aminobutyrate aminotransferase puue from escherichia COLI in complex with plp
7JH3: “Crystal structure of 4-aminobutyrate aminotransferase puue from escherichia COLI in complex with plp”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #178633 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7JH3
- Type
- protein
- Length
- 2,520 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-aminobutyrate aminotransferase puue
- EC
- 2.6.1.19
- UniProt
- P50457
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | 4-aminobutyrate aminotransferase puue (EC 2.6.1.19) | protein | 420 | 40% helix, 19% strand | P50457 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains B, C, A, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.77 | 0.96 | 30 | PEG |
| 2 | 575 | 0.77 | 0.83 | 78 | empty |
| 3 | 59 | 0.70 | 0.97 | 20 | empty |
| 4 | 309 | 0.68 | 0.83 | 49 | empty |
| 5 | 50 | 0.67 | 0.96 | 18 | empty |
Interfaces
11 interfaces between chains.
- B–C · 4798 Ų buried · 86 hydrogen bonds · protein-protein
- A–F · 4788 Ų buried · 78 hydrogen bonds · protein-protein
- D–E · 4783 Ų buried · 79 hydrogen bonds · protein-protein
- A–E · 1001 Ų buried · 15 hydrogen bonds · protein-protein
- D–F · 980 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (cofactor).
Compared structures
- 7JH3 · Crystal structure of 4-aminobutyrate aminotransferase PuuE from Escherichia coli in… · the same entry in another collection · chain C against C, TM-score 1.00
- P50457 · AlphaFold monomer V2.0 prediction for 4-aminobutyrate aminotransferase puue (P50457) · 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 P50457
- Elsewhere: RCSB PDB 7JH3 · PDBe 7JH3 · UniProt P50457
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