MolNFT v1 · #104849 · protein

Crystal structure of neuraminidase N7

4QN3: “Crystal structure of neuraminidase N7”. X-ray diffraction, 3 ligands (NAG, BMA, CA), 3 pockets (best druggability 0.78). MolNFT v1 #104849 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QN3
Type: protein
Length: 780 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase
UniProt: Q20R18
Ligands: NAG, BMA, CA
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Neuraminidase	protein	390	4% helix, 45% strand	Q20R18

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B
BMA · beta-D-mannopyranose · sugar · 2 copies
CA · Calcium ion · metal · 2 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1176	0.78	0.80	99	empty
2	279	0.62	0.80	40	empty
3	65	0.37	0.78	16	empty

Interfaces

1 interface between chains.

A–B · 115 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 18 disulfide, 6 glycan (disulfide, N-glycosylation).

Compared structures

4QN3 · Crystal structure of Neuraminidase N7 · 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 Q20R18
Elsewhere: RCSB PDB 4QN3 · PDBe 4QN3 · UniProt Q20R18

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