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Crystal structure of 10-Hydroxygeraniol Dehydrogenase from Cantharanthus roseus in complex with NADP+

Analyse Crystal structure of 10-Hydroxygeraniol Dehydrogenase from Cantharanthus roseus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6K3G
Type
protein
Length
356 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.41
Source
Catharanthus roseus
Molecule
10-hydroxygeraniol oxidoreductase
UniProt
A0A067YF90
Ligands
NAP, ZN
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · resolution 2.41 · 1 distinct chain · 31% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B10-hydroxygeraniol oxidoreductaseprotein35631% helix, 28% strandA0A067YF90

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains B
  • ZN · Zinc ion · metal · 2 copies · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14920.720.8158NAP
2550.700.9817empty
3510.290.7516empty

Compared structures

  • 6K3G · Crystal structure of 10-hydroxygeraniol dehydrogenase from cantharanthus roseus in… · the same entry in another collection · chain B against B, TM-score 1.00

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