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Radiation damage to the nucleoprotein complex C.ESP1396I: dose (dwd) 44.6 mgy

Analyse Radiation damage to the nucleoprotein complex C.ESP1396I: dose (dwd) 44.6 mgy in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X4I
Type
protein + DNA
Length
376 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Regulatory protein; 35-mer DNA
UniProt
Q8GGH0
Pockets
8 · best druggability 0.52

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DRegulatory proteinprotein7672% helix, 1% strandQ8GGH0
B, CRegulatory proteinprotein7771% helix, 1% strandQ8GGH0
E35-mer DNAdna35——
F35-mer DNAdna35——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12180.520.7722empty
21490.430.7619empty
3670.370.7813empty
41030.360.7415empty
5700.330.7614empty

Interfaces

12 interfaces between chains.

  • E–F · 1589 Ų buried · 124 hydrogen bonds · nucleic-nucleic
  • A–B · 999 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 989 Ų buried · 10 hydrogen bonds · protein-protein
  • B–F · 442 Ų buried · 8 hydrogen bonds · protein-nucleic
  • C–E · 428 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 4X4I · RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 44.6 MGy · the same entry in another collection · chain A against A, TM-score 1.00

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