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MolNFT v1 · #117393 · protein

Crystal structure of bovine norovirus P domain

5E6T · Capsid: “Crystal structure of bovine norovirus P domain”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.79). MolNFT v1 #117393 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5E6T
Type
protein
Length
572 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid
UniProt
E6Y5B1
Ligands
ZN
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsidprotein2887% helix, 33% strandE6Y5B1
BCapsidprotein2847% helix, 36% strandE6Y5B1

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11550.790.9530ZN
26900.760.8182ZN

Interfaces

1 interface between chains.

  • A–B · 1287 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5E6T · Crystal structure of bovine norovirus P domain · the same entry in another collection · chain A against A, TM-score 1.00

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