MolNFT v1 · #77206 · protein
Crystal structure of adenylosuccinate synthetase from campylobacter jejuni
3R7T: “Crystal structure of adenylosuccinate synthetase from campylobacter jejuni”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.69). MolNFT v1 #77206 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3R7T
- Type
- protein
- Length
- 408 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- Q9PMG4
- Ligands
- CL
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 408 | 38% helix, 24% strand | Q9PMG4 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- CIT · Citric acid · additive · chains A
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.69 | 0.77 | 73 | CIT |
| 2 | 77 | 0.49 | 0.83 | 20 | empty |
| 3 | 74 | 0.45 | 0.81 | 19 | empty |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3R7T · Crystal Structure of Adenylosuccinate Synthetase from Campylobacter jejuni · the same entry in another collection · chain A against A, TM-score 1.00
- Q9PMG4 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (Q9PMG4) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9PMG4
- Elsewhere: RCSB PDB 3R7T · PDBe 3R7T · UniProt Q9PMG4
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