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Schistosoma mansoni phosphodiesterase 4A

Analyse Schistosoma mansoni phosphodiesterase 4A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FG5
Type
protein
Length
659 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphodiesterase
EC
3.1.4.-
UniProt
G4VPI6
Ligands
ZN, MG
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphodiesterase (EC 3.1.4.-)protein33466% helix, 0% strandG4VPI6
BPhosphodiesterase (EC 3.1.4.-)protein32567% helix, 0% strandG4VPI6

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19730.760.79101MG
24200.720.8245MG

Interfaces

1 interface between chains.

  • A–B · 722 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 6FG5 · Schistosoma mansoni Phosphodiesterase 4A · the same entry in another collection · chain A against A, TM-score 1.00

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