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Mouse muscle adenylosuccinate synthetase partially ligated complex with GTP, 2'-deoxy-imp

Analyse Mouse muscle adenylosuccinate synthetase partially ligated complex with GTP… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2DGN
Type
protein
Length
431 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenylosuccinate synthetase isozyme 1
EC
6.3.4.4
UniProt
P28650
Ligands
DOI, GDP, MG
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenylosuccinate synthetase isozyme 1 (EC 6.3.4.4)protein43139% helix, 22% strandP28650

Ligands and binding sites

  • DOI · 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(phosphonooxy)-9H-purine · ligand · chains A
  • GDP · Guanosine-5'-diphosphate · 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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16930.800.8576DOI, GDP

Compared structures

  • 2DGN · Mouse Muscle Adenylosuccinate Synthetase partially ligated complex with GTP, 2'-deoxy-IMP · 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

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