MolNFT v1 · #172283 · protein
Adenylosuccinate synthetase from H. pylori in complex with hda, GDP, imo, mg
6ZXQ: “Adenylosuccinate synthetase from H. pylori in complex with hda, GDP, imo, mg”. X-ray diffraction, 4 ligands (HDA, GDP, IMO), 3 pockets (best druggability 0.78). MolNFT v1 #172283 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6ZXQ
- Type
- protein
- Length
- 410 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- P56137
- Ligands
- HDA, GDP, IMO, MG
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 410 | 36% helix, 23% strand | P56137 |
Ligands and binding sites
- HDA · Hadacidin · ligand · chains A
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- IMO · 6-O-phosphoryl inosine monophosphate · 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 | 257 | 0.78 | 0.91 | 44 | HDA, IMO |
| 2 | 214 | 0.65 | 0.84 | 28 | GDP |
| 3 | 66 | 0.29 | 0.74 | 15 | empty |
Compared structures
- 6ZXQ · Adenylosuccinate Synthetase from H. pylori in complex with HDA, GDP, IMO, Mg · the same entry in another collection · chain A against A, TM-score 1.00
- P56137 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (P56137) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P56137
- Elsewhere: RCSB PDB 6ZXQ · PDBe 6ZXQ · UniProt P56137
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