MolNFT v1 · #99335 · protein
The crystal structure of an adenylosuccinate synthetase from bacillus anthracis str. ames ancestor.
4M0G: “The crystal structure of an adenylosuccinate synthetase from bacillus anthracis str. ames ancestor.”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.85). MolNFT v1 #99335 on GenesisL1: 3D structure, binding sites…
- PDB
- 4M0G
- Type
- protein
- Length
- 837 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- Q81JI9
- Ligands
- CL
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 421 | 39% helix, 22% strand | Q81JI9 |
| B | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 416 | 39% helix, 20% strand | Q81JI9 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 239 | 0.85 | 0.98 | 31 | empty |
| 2 | 1085 | 0.82 | 0.83 | 123 | empty |
| 3 | 529 | 0.70 | 0.80 | 79 | CL |
| 4 | 121 | 0.41 | 0.75 | 19 | empty |
| 5 | 97 | 0.37 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2998 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4M0G · The crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames… · the same entry in another collection · chain A against A, TM-score 1.00
- Q81JI9 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (Q81JI9) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q81JI9
- Elsewhere: RCSB PDB 4M0G · PDBe 4M0G · UniProt Q81JI9
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