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Crystal structure of retroviral protease-like domain of DDI1 from leishmania major

Analyse Crystal structure of retroviral protease-like domain of DDI1 from leishmania… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YS4
Type
protein
Length
698 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-damage inducible protein DDI1-like protein
UniProt
E9AC52
Pockets
6 · best druggability 0.46

Structure

x-ray diffraction · 6 distinct chains · 15% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-damage inducible protein DDI1-like proteinprotein12015% helix, 44% strandE9AC52
BDNA-damage inducible protein DDI1-like proteinprotein11916% helix, 46% strandE9AC52
CDNA-damage inducible protein DDI1-like proteinprotein11715% helix, 46% strandE9AC52
DDNA-damage inducible protein DDI1-like proteinprotein11516% helix, 46% strandE9AC52
EDNA-damage inducible protein DDI1-like proteinprotein11217% helix, 46% strandE9AC52
FDNA-damage inducible protein DDI1-like proteinprotein11514% helix, 46% strandE9AC52

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.460.7527empty
21880.440.7333empty
3960.340.7317empty
4500.310.7721empty
5660.310.7416empty

Interfaces

8 interfaces between chains.

  • B–C · 1196 Ų buried · 18 hydrogen bonds · protein-protein
  • A–D · 1141 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 1066 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 621 Ų buried · 12 hydrogen bonds · protein-protein
  • C–E · 473 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5YS4 · Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major · the same entry in another collection · chain A against A, TM-score 1.00

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