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MolNFT v1 · #103321 · protein

Structure of vccnt bound to zebularine

4PD7 · Nupc family protein: “Structure of vccnt bound to zebularine”. X-ray diffraction, 2 ligands (ZE8, NA), 5 pockets (best druggability 0.64). MolNFT v1 #103321 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4PD7
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
ZE8, NA
Pockets
5 · best druggability 0.64

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ANupc family proteinprotein40478% helix, 0% strandQ9KPL5

Ligands and binding sites

  • ZE8 · Zebularine · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13680.640.7941ZE8
21460.600.8320empty
31150.420.7517empty
4680.310.7312empty
5540.290.7518empty

Compared structures

  • 4PD7 · Structure of vcCNT bound to zebularine · the same entry in another collection · chain A against A, TM-score 1.00

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