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MolNFT v1 · #189518 · protein

Class II photolyase mmcpdii semiquinone to fully reduced tr-sfx studies (100 ns time-point)

7VJC · DNA photolyase: “Class II photolyase mmcpdii semiquinone to fully reduced tr-sfx studies (100 ns time-point)”. X-ray diffraction, 2 ligands (FAD, SO4), 4 pockets (best druggability 0.84). MolNFT v1 #189518 on GenesisL1: 3D…

PDB
7VJC
Type
protein
Length
453 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA photolyase
EC
4.1.99.3
UniProt
Q8PYK9
Ligands
FAD, SO4
Pockets
4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA photolyase (EC 4.1.99.3)protein45352% helix, 8% strandQ8PYK9

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15700.840.9042FAD, DTT
23490.790.8938empty
3690.520.8623SO4
4970.430.7818empty

Compared structures

  • 7VJC · class II photolyase MmCPDII semiqui to fully reduced TR-SFX studies (100 ns time-point) · the same entry in another collection · chain A against A, TM-score 1.00

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