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Structures of adenylosuccinate synthetase from triticum aestivum and arabidopsis thaliana

Analyse Structures of adenylosuccinate synthetase from triticum aestivum and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1DJ2
Type
protein
Length
858 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenylosuccinate synthetase
EC
6.3.4.4
UniProt
Q96529
Ligands
GDP
Pockets
10 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAdenylosuccinate synthetase (EC 6.3.4.4)protein42936% helix, 21% strandQ96529

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.830.9922empty
21670.810.9728empty
36420.770.8364GDP
46770.760.8261GDP
54360.710.8251empty

Interfaces

1 interface between chains.

  • A–B · 2779 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 1DJ2 · Structures of adenylosuccinate synthetase from triticum aestivum and arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96529 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase, chloroplastic (Q96529) · a predicted model of the same protein · chain A against A, TM-score 1.00

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