MolNFT v1 · #6299 · protein

Native influenza virus neuraminidase in complex with NEU5AC2EN

1F8B: “Native influenza virus neuraminidase in complex with NEU5AC2EN”. X-ray diffraction, 4 ligands (DAN, NAG, MAN), 1 pocket (best druggability 0.60). MolNFT v1 #6299 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1F8B
Type: protein
Length: 388 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase
EC: 3.2.1.18
Ligands: DAN, NAG, MAN, CA
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase (EC 3.2.1.18)	protein	388	4% helix, 43% strand	—

Ligands and binding sites

DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
MAN · alpha-D-mannopyranose · sugar · 5 copies
CA · Calcium ion · metal · 2 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	263	0.60	0.80	40	DAN

Modifications

Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

1F8B · Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN · 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
Elsewhere: RCSB PDB 1F8B · PDBe 1F8B

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