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Crystal structure of phosphodiesterase domain of rhopde fusion protein from the choanoflagellate salpingoeca rosetta

Analyse Crystal structure of phosphodiesterase domain of rhopde fusion protein from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VYD
Type
protein
Length
631 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphodiesterase
EC
3.1.4.-
UniProt
F2TZN0
Ligands
ZN, MG
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphodiesterase (EC 3.1.4.-)protein31472% helix, 0% strandF2TZN0
BPhosphodiesterase (EC 3.1.4.-)protein31771% helix, 0% strandF2TZN0

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14170.730.8344MG
24050.710.8241MG
31960.470.7518empty
4640.400.8015empty
51500.400.7322empty

Interfaces

1 interface between chains.

  • A–B · 859 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5VYD · Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the… · the same entry in another collection · chain A against A, TM-score 1.00

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