MolNFT v1 · #91183 · protein
Wild-type E. COLI aspartate aminotransferase: a template for the interconversion of substrate specificity and activity to tyrosine aminotransferase by the janus algorithm.
4F5M: “Wild-type E. COLI aspartate aminotransferase: a template for the interconversion of substrate specificity and…”. X-ray diffraction, 10 pockets (best druggability 0.71). MolNFT v1 #91183 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4F5M
- Type
- protein
- Length
- 796 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
- 10 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate aminotransferase (EC 2.6.1.1) | protein | 400 | 47% helix, 14% strand | P00509 |
| B | Aspartate aminotransferase (EC 2.6.1.1) | protein | 396 | 47% helix, 14% strand | P00509 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.71 | 0.77 | 74 | EDO |
| 2 | 650 | 0.70 | 0.78 | 47 | empty |
| 3 | 88 | 0.44 | 0.80 | 18 | empty |
| 4 | 76 | 0.37 | 0.77 | 23 | empty |
| 5 | 54 | 0.36 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3077 Ų buried · 58 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 4F5M · Wild-Type E. coli Aspartate Aminotransferase: A Template For The Interconversion of… · 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 B 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 4F5M · PDBe 4F5M · UniProt P00509
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