MolNFT v1 · #85038 · protein
Structure of an engineered aspartate aminotransferase
4A00: “Structure of an engineered aspartate aminotransferase”. X-ray diffraction, 1 ligand (PP3), 5 pockets (best druggability 0.59). MolNFT v1 #85038 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4A00
- Type
- protein
- Length
- 396 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase
- EC
- 2.6.1.1
- UniProt
- P00509
- Ligands
- PP3
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate aminotransferase (EC 2.6.1.1) | protein | 396 | 47% helix, 14% strand | P00509 |
Ligands and binding sites
- PP3 · Alanyl-pyridoxal-5'-phosphate · ligand · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.59 | 0.81 | 32 | PP3 |
| 2 | 113 | 0.42 | 0.77 | 24 | empty |
| 3 | 100 | 0.37 | 0.75 | 24 | empty |
| 4 | 87 | 0.36 | 0.76 | 18 | empty |
| 5 | 50 | 0.36 | 0.80 | 14 | empty |
Compared structures
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 4A00 · PDBe 4A00 · UniProt P00509
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