MolNFT v1 · #17956 · protein
Structure of fully ligated adenylosuccinate synthetase from plasmodium falciparum
1P9B: “Structure of fully ligated adenylosuccinate synthetase from plasmodium falciparum”. X-ray diffraction, 5 ligands (IMO, HDA, GDP), 2 pockets (best druggability 0.76). MolNFT v1 #17956 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1P9B
- Type
- protein
- Length
- 424 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- Q9U8D3
- Ligands
- IMO, HDA, GDP, MG, NO3
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 424 | 38% helix, 21% strand | Q9U8D3 |
Ligands and binding sites
- IMO · 6-O-phosphoryl inosine monophosphate · ligand · chains A
- HDA · Hadacidin · ligand · chains A
- GDP · Guanosine-5'-diphosphate · 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
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.76 | 0.91 | 41 | IMO, HDA |
| 2 | 181 | 0.67 | 0.86 | 28 | GDP |
Compared structures
- 1P9B · Structure of fully ligated Adenylosuccinate synthetase from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00
- Q9U8D3 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (Q9U8D3) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q9U8D3
- Elsewhere: RCSB PDB 1P9B · PDBe 1P9B · UniProt Q9U8D3
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