Research workbench
Structure of adenylosuccinate synthetase from E. COLI complexed with GDP, imp, hadacidin, and NO3
Analyse Structure of adenylosuccinate synthetase from E. COLI complexed with GDP, imp… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CIB
- 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
- GDP, HDA, IMP, MG, NO3
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 38% helix, 22% strand | P0A7D4 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- HDA · Hadacidin · ligand · chains A
- IMP · Inosinic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- NO3 · Nitrate ion · ion · 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 | 309 | 0.75 | 0.87 | 44 | NO3, HDA, IMP |
| 2 | 236 | 0.64 | 0.83 | 27 | GDP |
| 3 | 57 | 0.34 | 0.77 | 17 | empty |
Compared structures
- 1CIB · Structure of adenylosuccinate synthetase from E. COLI complexed with GDP, imp, 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 1CIB · PDBe 1CIB · UniProt P0A7D4
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