MolNFT v1 · #105115 · protein

Unliganded crystal structure of feline norovirus P domain co- crystallized with hbga a-trisaccharide

4QV2 · VP1: “Unliganded crystal structure of feline norovirus P domain co- crystallized with hbga a-trisaccharide”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #105115 on GenesisL1: 3D structure, binding sites and…

PDB: 4QV2
Type: protein
Length: 633 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: VP1
UniProt: H8YRY9
Pockets: 7 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	VP1	protein	311	7% helix, 35% strand	H8YRY9
B	VP1	protein	322	9% helix, 34% strand	H8YRY9

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 5 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	283	0.80	0.92	51	empty
2	134	0.62	0.86	32	empty
3	207	0.56	0.79	22	EDO
4	136	0.51	0.79	18	empty
5	142	0.47	0.77	22	EDO

Interfaces

1 interface between chains.

A–B · 2013 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

4QV2 · Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with HBGA… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt H8YRY9
Elsewhere: RCSB PDB 4QV2 · PDBe 4QV2 · UniProt H8YRY9

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