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Shuguo pwwp in complex with ssdna

Analyse Shuguo pwwp in complex with ssdna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KCP
Type
protein + DNA
Length
335 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LD23804P; DNA (5'-D(P*TP*TP*TP*TP*T)-3')
UniProt
Q9VAA9
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 5 distinct chains · 40% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALD23804Pprotein8340% helix, 34% strandQ9VAA9
BLD23804Pprotein8440% helix, 33% strandQ9VAA9
CLD23804Pprotein8141% helix, 33% strandQ9VAA9
EDNA (5'-D(P*TP*TP*TP*TP*T)-3')dna2——
DLD23804Pprotein8540% helix, 32% strandQ9VAA9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.690.9218empty
25660.650.7646empty
31090.410.7623empty
4580.360.7818empty

Interfaces

7 interfaces between chains.

  • A–B · 1563 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1551 Ų buried · 16 hydrogen bonds · protein-protein
  • B–E · 333 Ų buried · 5 hydrogen bonds · protein-nucleic
  • B–D · 273 Ų buried · 3 hydrogen bonds · protein-protein
  • A–E · 60 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 6KCP · Shuguo PWWP in complex with ssDNA · the same entry in another collection · chain A against A, TM-score 1.00

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