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MolNFT v1 · #23544 · protein

Crystal structure of the phr domain of cryptochrome 1 from arabidopsis thaliana

1U3C · Cryptochrome 1 apoprotein: “Crystal structure of the phr domain of cryptochrome 1 from arabidopsis thaliana”. X-ray diffraction, 4 ligands (FAD, NDS, MG), 6 pockets (best druggability 0.81). MolNFT v1 #23544 on GenesisL1: 3D…

PDB
1U3C
Type
protein
Length
485 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptochrome 1 apoprotein
UniProt
Q43125
Ligands
FAD, NDS, MG, CL
Pockets
6 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACryptochrome 1 apoproteinprotein48553% helix, 6% strandQ43125

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • NDS · Ethyl dimethyl ammonio propane sulfonate · ligand · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · chains A
  • HEZ · Hexane-1,6-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16690.810.8649MG, FAD, HEZ
21210.790.9729empty
31830.470.7532NDS
4690.360.7714empty
5560.290.7515empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1U3C · Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
  • Q43125 · AlphaFold monomer V2.0 prediction for cryptochrome-1 (Q43125) · a predicted model of the same protein · chain A against A, TM-score 0.99

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