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MolNFT v1 · #127707 · protein

N-terminal domain of a human coronavirus NL63 nucleocapsid protein

5N4K · Nucleoprotein: “N-terminal domain of a human coronavirus NL63 nucleocapsid protein”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.76). MolNFT v1 #127707 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5N4K
Type
protein
Length
259 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoprotein
UniProt
Q6Q1R8
Ligands
SO4
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleoproteinprotein1305% helix, 27% strandQ6Q1R8
BNucleoproteinprotein1295% helix, 27% strandQ6Q1R8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 14 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19550.760.7963SO4
22010.520.7740empty
31710.490.7733SO4

Interfaces

1 interface between chains.

  • A–B · 1339 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 5N4K · N-terminal domain of a human Coronavirus NL63 nucleocapsid protein · the same entry in another collection · chain A against A, TM-score 1.00

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