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Deoxyguanylosuccinate synthase (dgss) and ATP structure at 1.7 ångström resolution

Analyse Deoxyguanylosuccinate synthase (dgss) and ATP structure at 1.7 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FM0
Type
protein
Length
584 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenylosuccinate synthetase
UniProt
G3FFN6
Ligands
ATP
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenylosuccinate synthetaseprotein29434% helix, 21% strandG3FFN6
BAdenylosuccinate synthetaseprotein29033% helix, 22% strandG3FFN6

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13020.550.7646ATP
21800.520.7933ATP
31010.460.7922empty
4690.320.7517empty

Interfaces

1 interface between chains.

  • A–B · 263 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6FM0 · Deoxyguanylosuccinate synthase (DgsS) and ATP structure at 1.7 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00

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