Research workbench
Fully ligated E.COLI adenylosuccinate synthetase with GTP, 2'-deoxy- imp and hadacidin
Analyse Fully ligated E.COLI adenylosuccinate synthetase with GTP, 2'-deoxy- imp and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GCQ
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- P0A7D4
- Ligands
- DOI, GDP, HDA, MG
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 37% helix, 21% strand | P0A7D4 |
Ligands and binding sites
- DOI · 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(phosphonooxy)-9H-purine · ligand · chains A
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- HDA · Hadacidin · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.74 | 0.89 | 44 | DOI, HDA |
| 2 | 237 | 0.63 | 0.82 | 31 | GDP |
| 3 | 53 | 0.33 | 0.78 | 16 | empty |
Compared structures
- 2GCQ · Fully ligated E.Coli Adenylosuccinate Synthetase with GTP, 2'-deoxy-IMP and Hadacidin · the same entry in another collection · chain A against A, TM-score 1.00
- P0A7D4 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (P0A7D4) · 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 P0A7D4
- Elsewhere: RCSB PDB 2GCQ · PDBe 2GCQ · UniProt P0A7D4
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