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Maize cytokinin OXIDASE/DEHYDROGENASE complexed with the allenic cytokinin analog ha-1

Analyse Maize cytokinin OXIDASE/DEHYDROGENASE complexed with the allenic cytokinin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BW7
Type
protein
Length
497 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytokinin dehydrogenase 1
EC
1.5.99.12
UniProt
Q9T0N8
Ligands
FAD, 301, NAG
Pockets
5 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytokinin dehydrogenase 1 (EC 1.5.99.12)protein49737% helix, 23% strandQ9T0N8

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • 301 · N6-(penta-2,3-dienyl)adenine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17870.870.9078FAD, 301
23410.630.7934empty
3750.390.7718empty
4920.350.7515empty
5770.340.7524GOL

Modifications

Observed in the structure: 5 glycan, 1 cofactor (N-glycosylation, flavinylation).

Compared structures

  • 3BW7 · Maize cytokinin oxidase/dehydrogenase complexed with the allenic cytokinin analog HA-1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9T0N8 · AlphaFold monomer V2.0 prediction for cytokinin dehydrogenase 1 (Q9T0N8) · a predicted model of the same protein · chain A against A, TM-score 1.00

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