MolNFT v1 · #138547 · protein
Arabidopsis thaliana prephenate aminotransferase mutant- K306A
5WML · Bifunctional aspartate aminotransferase and…: “Arabidopsis thaliana prephenate aminotransferase mutant- K306A”. X-ray diffraction, 2 ligands (PMP, GLU), 7 pockets (best druggability 0.79). MolNFT v1 #138547 on GenesisL1: 3D…
- PDB
- 5WML
- Type
- protein
- Length
- 806 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional aspartate aminotransferase and GLUTAMATE/ASPARTATE-prephenate…
- EC
- 2.6.1.1, 2.6.1.78, 2.6.1.79
- UniProt
- Q9SIE1
- Ligands
- PMP, GLU
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional aspartate aminotransferase and GLUTAMATE/ASPARTATE-prephenate aminotransferase (EC 2.6.1.1, 2.6.1.78, 2.6.1.79) | protein | 404 | 46% helix, 15% strand | Q9SIE1 |
| B | Bifunctional aspartate aminotransferase and GLUTAMATE/ASPARTATE-prephenate aminotransferase (EC 2.6.1.1, 2.6.1.78, 2.6.1.79) | protein | 402 | 46% helix, 15% strand | Q9SIE1 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.79 | 0.96 | 32 | PMP, GLU |
| 2 | 124 | 0.78 | 0.96 | 33 | empty |
| 3 | 446 | 0.75 | 0.84 | 62 | PMP, GLU |
| 4 | 290 | 0.57 | 0.77 | 35 | empty |
| 5 | 159 | 0.46 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2979 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 5WML · Arabidopsis thaliana Prephenate Aminotransferase mutant- K306A · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SIE1 · AlphaFold monomer V2.0 prediction for bifunctional aspartate aminotransferase and… · 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 Q9SIE1
- Elsewhere: RCSB PDB 5WML · PDBe 5WML · UniProt Q9SIE1
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