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Structural basis of plant blue light photoreceptor

Analyse Structural basis of plant blue light photoreceptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6X24
Type
protein
Length
1,879 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptochrome-2
UniProt
Q96524
Ligands
FAD
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCryptochrome-2protein46949% helix, 5% strandQ96524
CCryptochrome-2protein47149% helix, 5% strandQ96524
DCryptochrome-2protein47050% helix, 6% strandQ96524

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 15 copies · chains A, B, D, C

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14980.850.9245GOL
25620.840.8946empty
37480.830.8661FAD
47240.820.8665FAD, GOL
57020.820.8647FAD

Interfaces

4 interfaces between chains.

  • A–B · 1603 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 1599 Ų buried · 29 hydrogen bonds · protein-protein
  • B–C · 1533 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 1415 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6X24 · Structural basis of plant blue light photoreceptor · the same entry in another collection · chain D against D, TM-score 1.00
  • Q96524 · AlphaFold monomer V2.0 prediction for cryptochrome-2 (Q96524) · a predicted model of the same protein · chain B against A, TM-score 0.98

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