MolNFT v1 · #24993 · protein

Influenza B virus neuraminidase complexed with 1-(4-carboxy-2-(3- PENTYLAMINO)PHENYL)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one

1VCJ: “Influenza B virus neuraminidase complexed with 1-(4-carboxy-2-(3…”. X-ray diffraction, 1 ligand (IBA), 2 pockets (best druggability 0.78). MolNFT v1 #24993 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1VCJ
Type: protein
Length: 389 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase
EC: 3.2.1.18
UniProt: P03474
Ligands: IBA
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase (EC 3.2.1.18)	protein	389	2% helix, 48% strand	P03474

Ligands and binding sites

IBA · 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid · ligand · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	121	0.78	0.97	27	empty
2	191	0.56	0.81	24	IBA

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

1VCJ · Influenza B virus neuraminidase complexed with… · 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 P03474
Elsewhere: RCSB PDB 1VCJ · PDBe 1VCJ · UniProt P03474

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