MolNFT v1 · #14615 · protein
Structure of the recombinant mouse-muscle adenylosuccinate synthetase complexed with samp, GDP, SO4(2-), and MG(2+)
1MEZ: “Structure of the recombinant mouse-muscle adenylosuccinate synthetase complexed with samp, GDP, SO4(2-), and…”. X-ray diffraction, 4 ligands (GDP, 2SA, MG), 3 pockets (best druggability 0.75). MolNFT v1 #14615 on GenesisL1: 3D…
- PDB
- 1MEZ
- Type
- protein
- Length
- 430 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- P28650
- Ligands
- GDP, 2SA, MG, SO4
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 430 | 37% helix, 21% strand | P28650 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- 2SA · 2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-succinic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 268 | 0.75 | 0.89 | 50 | SO4, 2SA |
| 2 | 195 | 0.67 | 0.86 | 28 | GDP |
| 3 | 56 | 0.32 | 0.77 | 13 | empty |
Compared structures
- 1MEZ · Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P28650 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase isozyme 1 (P28650) · 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 P28650
- Elsewhere: RCSB PDB 1MEZ · PDBe 1MEZ · UniProt P28650
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