Research workbench
Adenylosuccinate synthetase inhibited by hydantocidin 5'-monophosphate
Analyse Adenylosuccinate synthetase inhibited by hydantocidin 5'-monophosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SOO
- 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
- H5P, NA, SO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 39% helix, 20% strand | P0A7D4 |
Ligands and binding sites
- H5P · Hydantocidin-5'-phosphate · ligand · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.77 | 0.83 | 76 | SO4, NA, H5P |
| 2 | 116 | 0.41 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1SOO · Adenylosuccinate synthetase inhibited by hydantocidin 5'-monophosphate · 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 1SOO · PDBe 1SOO · UniProt P0A7D4
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