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Cryptochrome 3 from arabidopsis thaliana

Analyse Cryptochrome 3 from arabidopsis thaliana in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2J4D
Type
protein
Length
995 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptochrome dash
UniProt
Q84KJ5
Ligands
FAD, MHF
Pockets
12 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACryptochrome dashprotein49648% helix, 8% strandQ84KJ5
BCryptochrome dashprotein49948% helix, 8% strandQ84KJ5

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • MHF · 5,10-methenyl-6,7,8-trihydrofolic acid · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15480.830.8944FAD
25420.830.8943FAD
34470.820.9067MHF
44200.810.8953MHF
511360.760.7863empty

Interfaces

1 interface between chains.

  • A–B · 885 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2J4D · Cryptochrome 3 from Arabidopsis thaliana · the same entry in another collection · chain B against B, TM-score 1.00
  • Q84KJ5 · AlphaFold monomer V2.0 prediction for cryptochrome dash, CHLOROPLASTIC/MITOCHONDRIAL… · a predicted model of the same protein · chain B against A, TM-score 1.00

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