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NUDIX1 hydrolase from rosa X hybrida in complex with geranyl pyrophosphate

Analyse NUDIX1 hydrolase from rosa X hybrida in complex with geranyl pyrophosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YPF
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Geranyl diphosphate phosphohydrolase
EC
3.6.1.68
UniProt
M4I1C6
Ligands
GPP
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeranyl diphosphate phosphohydrolase (EC 3.6.1.68)protein12919% helix, 43% strandM4I1C6

Ligands and binding sites

  • GPP · Geranyl diphosphate · ligand · chains A

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
12100.650.8332GPP

Compared structures

  • 6YPF · NUDIX1 hydrolase from Rosa x hybrida in complex with geranyl pyrophosphate · the same entry in another collection · chain A against A, TM-score 1.00
  • M4I1C6 · AlphaFold monomer V2.0 prediction for geranyl diphosphate phosphohydrolase (M4I1C6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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