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Crystal structure of PDE6D in complex with the inhibitor rac-2

Analyse Crystal structure of PDE6D in complex with the inhibitor rac-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JVB
Type
protein
Length
146 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase subunit delta
UniProt
O43924
Ligands
1M0
Pockets
1 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 60% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BRetinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase subunit deltaprotein14614% helix, 60% strandO43924

Ligands and binding sites

  • 1M0 · 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14150.840.92401M0

Compared structures

  • 4JVB · Crystal structure of PDE6D in complex with the inhibitor rac-2 · the same entry in another collection · chain B against B, TM-score 1.00
  • O43924 · AlphaFold monomer V2.0 prediction for retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic… · a predicted model of the same protein · chain B against A, TM-score 0.98

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