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The animal-like cryptochrome from chlamydomonas reinhardtii in complex with 6-4 DNA

Analyse The animal-like cryptochrome from chlamydomonas reinhardtii in complex with 6-4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FN0
Type
protein + DNA
Length
524 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cryptochrome photoreceptor; DNA (5'-D(*CP*AP*GP*CP*GP*GP*(64T)P*(5PY)…
UniProt
A8J8W0
Ligands
FAD, MG, CL
Pockets
6 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACryptochrome photoreceptorprotein49648% helix, 6% strandA8J8W0
CDNA (5'-D(*CP*AP*GP*CP*GP*GP*(64T)P*(5PY) P*GP*CP*CP*GP*TP*G)-3')dna14——
DDNA (5'-D(*CP*AP*CP*GP*GP*CP*AP*AP*CP*CP*GP*CP*TP*G)-3')dna14——

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains C
  • CL · Chloride ion · ion · chains D
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
  • GOL · Glycerol · additive · chains A
  • 1PE · Pentaethylene glycol · additive · chains C, D

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13180.860.9634FAD
25310.750.8239MES
32740.690.8537empty
41460.470.7817empty
5920.330.7319empty

Interfaces

3 interfaces between chains.

  • A–C · 775 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–D · 587 Ų buried · 9 hydrogen bonds · protein-nucleic
  • C–D · 571 Ų buried · 55 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 6FN0 · The animal-like Cryptochrome from Chlamydomonas reinhardtii in complex with 6-4 DNA · the same entry in another collection · chain C against C, TM-score 1.00

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