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MolNFT v1 · #102538 · protein

Crystal structure of P domain from norovirus strain farmington hills 2004

4OOV · Major capsid protein: “Crystal structure of P domain from norovirus strain farmington hills 2004”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #102538 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4OOV
Type
protein
Length
614 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major capsid protein
UniProt
R4I4P2
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMajor capsid proteinprotein3075% helix, 35% strandR4I4P2

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 8 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14290.700.8151empty
24500.670.7949empty
31820.660.8632EDO

Interfaces

1 interface between chains.

  • A–B · 1784 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 4OOV · Crystal structure of P domain from norovirus strain Farmington Hills 2004 · the same entry in another collection · chain A against A, TM-score 1.00

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