MolNFT v1 · #187082 · protein

Crystal structure of N1 neuraminidase from A/MICHIGAN/45/2015(H1N1)

7S0I: “Crystal structure of N1 neuraminidase from A/MICHIGAN/45/2015(H1N1)”. X-ray diffraction, 3 ligands (NAG, MAN, CA), 1 pocket (best druggability 0.57). MolNFT v1 #187082 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7S0I
Type: protein
Length: 387 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase
EC: 3.2.1.18
UniProt: A0A0X9QTS2
Ligands: NAG, MAN, CA
Pockets: 1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase (EC 3.2.1.18)	protein	387	3% helix, 46% strand	A0A0X9QTS2

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
MAN · alpha-D-mannopyranose · sugar · 2 copies
CA · Calcium ion · metal · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	233	0.57	0.79	35	empty

Modifications

Observed in the structure: 8 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

7S0I · CRYSTAL STRUCTURE OF N1 NEURAMINIDASE FROM A/Michigan/45/2015(H1N1) · 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 A0A0X9QTS2
Elsewhere: RCSB PDB 7S0I · PDBe 7S0I · UniProt A0A0X9QTS2

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