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MolNFT v1 · #93156 · protein

Structure of full-length drosophila cryptochrome

4GU5 · Cryptochrome-1: “Structure of full-length drosophila cryptochrome”. X-ray diffraction, 2 ligands (FAD, MG), 9 pockets (best druggability 0.85). MolNFT v1 #93156 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4GU5
Type
protein
Length
1,075 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptochrome-1
UniProt
O77059
Ligands
FAD, MG
Pockets
9 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACryptochrome-1protein53750% helix, 7% strandO77059
BCryptochrome-1protein53850% helix, 7% strandO77059

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18720.850.8655MG, FAD
28100.840.8653MG, FAD
37390.770.8152empty
46620.750.8177empty
51040.570.8519empty

Interfaces

1 interface between chains.

  • A–B · 940 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4GU5 · Structure of Full-length Drosophila Cryptochrome · the same entry in another collection · chain A against A, TM-score 1.00
  • O77059 · AlphaFold monomer V2.0 prediction for cryptochrome-1 (O77059) · a predicted model of the same protein · chain A against A, TM-score 0.97

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