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Crystal structure of adenylosuccinate lyase from legionella pneumophila

Analyse Crystal structure of adenylosuccinate lyase from legionella pneumophila in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BHG
Type
protein
Length
448 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenylosuccinate lyase
EC
4.3.2.2
UniProt
Q5ZXD1
Ligands
SO4
Pockets
3 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenylosuccinate lyase (EC 4.3.2.2)protein44864% helix, 5% strandQ5ZXD1

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.420.7920empty
2730.390.7918SO4
3680.330.7611empty

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 3BHG · Crystal structure of adenylosuccinate lyase from Legionella pneumophila · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5ZXD1 · AlphaFold monomer V2.0 prediction for adenylosuccinate lyase (Q5ZXD1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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