MolNFT v1 · #91180 · protein
Rational design and directed evolution for conversion of substrate specificity from E.COLI aspartate aminotransferase to tyrosine aminotransferase: mutant P5.
4F5J: “Rational design and directed evolution for conversion of substrate specificity from E.COLI aspartate…”. X-ray diffraction, 13 pockets (best druggability 0.70). MolNFT v1 #91180 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4F5J
- Type
- protein
- Length
- 798 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase
- EC
- 2.6.1.1
- UniProt
- P00509
- Pockets
- 13 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate aminotransferase (EC 2.6.1.1) | protein | 399 | 48% helix, 14% strand | P00509 |
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.70 | 0.78 | 42 | empty |
| 2 | 683 | 0.70 | 0.78 | 50 | empty |
| 3 | 70 | 0.45 | 0.82 | 16 | empty |
| 4 | 103 | 0.45 | 0.79 | 21 | empty |
| 5 | 73 | 0.39 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 3252 Ų buried · 60 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 4F5J · Rational Design and Directed Evolution for Conversion of Substrate Specificity from… · the same entry in another collection · chain A against A, TM-score 1.00
- P00509 · AlphaFold monomer V2.0 prediction for aspartate aminotransferase (P00509) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00509
- Elsewhere: RCSB PDB 4F5J · PDBe 4F5J · UniProt P00509
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