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MolNFT v1 · #118521 · protein

Protruding domain of GII.17 norovirus KAWASAKI323

5F4M · Capsid protein: “Protruding domain of GII.17 norovirus KAWASAKI323”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT v1 #118521 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5F4M
Type
protein
Length
613 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein
UniProt
A0A0A7CJV4
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsid proteinprotein3086% helix, 35% strandA0A0A7CJV4
BCapsid proteinprotein3056% helix, 35% strandA0A0A7CJV4

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17240.790.83115EDO
21290.680.8924empty
31720.470.7627empty
4920.450.8019empty
5950.430.7917empty

Interfaces

1 interface between chains.

  • A–B · 1839 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 5F4M · Protruding domain of GII.17 norovirus Kawasaki323 · the same entry in another collection · chain A against A, TM-score 1.00

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