MolNFT v1 · #7627 · protein
Thermus thermophilus aspartate aminotransferase tetra mutant 2 complexed with aspartate
1GC4: “Thermus thermophilus aspartate aminotransferase tetra mutant 2 complexed with aspartate”. X-ray diffraction, 2 ligands (ASP, PLP), 15 pockets (best druggability 0.73). MolNFT v1 #7627 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1GC4
- Type
- protein
- Length
- 1,528 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate aminotransferase
- EC
- 2.6.1.1
- UniProt
- Q56232
- Ligands
- ASP, PLP
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aspartate aminotransferase (EC 2.6.1.1) | protein | 382 | 44% helix, 13% strand | Q56232 |
Ligands and binding sites
- ASP · Aspartic acid · ligand · 4 copies · chains A, B, C, D
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.73 | 0.81 | 70 | ASP, PLP |
| 2 | 637 | 0.72 | 0.79 | 74 | ASP, PLP |
| 3 | 535 | 0.72 | 0.81 | 66 | ASP, PLP |
| 4 | 398 | 0.71 | 0.82 | 49 | ASP, PLP |
| 5 | 128 | 0.52 | 0.81 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3283 Ų buried · 63 hydrogen bonds · protein-protein
- C–D · 3252 Ų buried · 61 hydrogen bonds · protein-protein
- A–C · 158 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1GC4 · Thermus thermophilus aspartate aminotransferase tetra mutant 2 complexed with aspartate · the same entry in another collection · chain D against D, TM-score 1.00
- Q56232 · AlphaFold monomer V2.0 prediction for ASPARTATE/PREPHENATE aminotransferase (Q56232) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q56232
- Elsewhere: RCSB PDB 1GC4 · PDBe 1GC4 · UniProt Q56232
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