MolNFT v1 · #16050 · protein

Three-dimensional structure of influenza a N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid

1NNB: “Three-dimensional structure of influenza a N9 neuraminidase and its complex with the inhibitor 2-deoxy…”. X-ray diffraction, 2 ligands (DAN, CA), 2 pockets (best druggability 0.64). MolNFT v1 #16050 on GenesisL1: 3D structure…

PDB: 1NNB
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: P03472
Ligands: DAN, CA
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase (EC 3.2.1.18)	protein	387	3% helix, 43% strand	P03472

Ligands and binding sites

DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
CA · Calcium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	292	0.64	0.81	50	DAN
2	68	0.38	0.78	23	empty

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

1NNB · Three-dimensional structure of influenza a N9 neuraminidase and its complex with the… · 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 P03472
Elsewhere: RCSB PDB 1NNB · PDBe 1NNB · UniProt P03472

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