MolNFT v1 · #4279 · protein
Structures of adenylosuccinate synthetase from triticum aestivum and arabidopsis thaliana
1DJ3: “Structures of adenylosuccinate synthetase from triticum aestivum and arabidopsis thaliana”. X-ray diffraction, 1 ligand (GDP), 10 pockets (best druggability 0.83). MolNFT v1 #4279 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1DJ3
- Type
- protein
- Length
- 864 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- O24396
- Ligands
- GDP
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 432 | 37% helix, 19% strand | O24396 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.83 | 0.99 | 23 | empty |
| 2 | 232 | 0.81 | 0.94 | 30 | empty |
| 3 | 1027 | 0.79 | 0.81 | 90 | GDP |
| 4 | 986 | 0.78 | 0.80 | 93 | GDP |
| 5 | 79 | 0.49 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2829 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 1DJ3 · Structures of adenylosuccinate synthetase from triticum aestivum and arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
- O24396 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase, chloroplastic (O24396) · a predicted model of the same protein · chain A 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 O24396
- Elsewhere: RCSB PDB 1DJ3 · PDBe 1DJ3 · UniProt O24396
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