MolNFT v1 · #1109 · protein
Aspartate aminotransferase, Y225R/R386A mutant
1ARH: “Aspartate aminotransferase, Y225R/R386A mutant”. X-ray diffraction, 1 ligand (PPD), 9 pockets (best druggability 0.73). MolNFT v1 #1109 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ARH
- Type
- protein
- Length
- 792 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
- Ligands
- PPD
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate aminotransferase (EC 2.6.1.1) | protein | 396 | 47% helix, 14% strand | P00509 |
Ligands and binding sites
- PPD · 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 575 | 0.73 | 0.81 | 78 | PPD |
| 2 | 517 | 0.71 | 0.81 | 73 | PPD |
| 3 | 66 | 0.39 | 0.80 | 14 | empty |
| 4 | 67 | 0.38 | 0.79 | 23 | empty |
| 5 | 52 | 0.34 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3230 Ų buried · 56 hydrogen bonds · protein-protein
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 1ARH · PDBe 1ARH · UniProt P00509
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