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Structure of vccnt-7C8C bound to pyrrolo-cytidine

Analyse Structure of vccnt-7C8C bound to pyrrolo-cytidine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PD8
Type
protein
Length
404 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nupc family protein
UniProt
Q9KPL5
Ligands
P0C, NA
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANupc family proteinprotein40478% helix, 0% strandQ9KPL5

Ligands and binding sites

  • P0C · 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • DMU · Decyl-beta-D-maltopyranoside · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13900.650.7941P0C
21700.610.8320empty
31320.460.7618empty
4630.350.7717empty
5720.340.7516empty

Compared structures

  • 4PD8 · Structure of vcCNT-7C8C bound to pyrrolo-cytidine · the same entry in another collection · chain A against A, TM-score 1.00

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