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Crystal structure of unliganded PDE5A gaf domain

Analyse Crystal structure of unliganded PDE5A gaf domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LFV
Type
protein
Length
771 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cgmp-specific 3',5'-cyclic phosphodiesterase
EC
3.1.4.35
UniProt
O76074
Pockets
13 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACgmp-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35)protein39140% helix, 21% strandO76074
BCgmp-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35)protein38038% helix, 20% strandO76074

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19210.770.8091empty
23230.670.8128empty
33140.660.8138empty
43120.640.8025empty
54580.640.7755empty

Interfaces

1 interface between chains.

  • A–B · 3107 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 3LFV · crystal structure of unliganded PDE5A GAF domain · the same entry in another collection · chain A against A, TM-score 1.00
  • O76074 · AlphaFold monomer V2.0 prediction for cgmp-specific 3',5'-cyclic phosphodiesterase… · a predicted model of the same protein · chain B against A, TM-score 0.91

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