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Structure of DCN1 bound to nacm-hit

Analyse Structure of DCN1 bound to nacm-hit in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5V83
Type
protein
Length
364 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LYSOZYME,DCN1-like protein 1 chimera
EC
3.2.1.17
UniProt
D9IEF7, Q96GG9
Ligands
8Z7
Pockets
5 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALYSOZYME,DCN1-like protein 1 chimera (EC 3.2.1.17)protein36462% helix, 6% strandD9IEF7, Q96GG9

Ligands and binding sites

  • 8Z7 · N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl) phenyl]urea · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11560.590.83258Z7
23520.540.7445empty
31450.490.7821empty
41630.420.7426empty
5740.350.7616empty

Compared structures

  • 5V83 · Structure of DCN1 bound to NAcM-HIT · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96GG9 · AlphaFold monomer V2.0 prediction for DCN1-like protein 1 (Q96GG9) · a predicted model of the same protein · chain A against A, TM-score 0.57

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