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Structure of DCN1 bound to nacm-cov

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

PDB
5V88
Type
protein
Length
363 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LYSOZYME,DCN1-like protein 1
EC
3.2.1.17
UniProt
D9IEF7, Q96GG9
Ligands
8ZD
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALYSOZYME,DCN1-like protein 1 (EC 3.2.1.17)protein36363% helix, 7% strandD9IEF7, Q96GG9

Ligands and binding sites

  • 8ZD · N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino) methyl]phenyl}propanamide · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11540.600.83248ZD
23520.590.7638empty
31760.430.7426empty
41010.390.7625empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5V88 · Structure of DCN1 bound to NAcM-COV · 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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