MolNFT v1 · #92533 · protein

Synthesis and evaluation of novel 3-C-alkylated-NEU5AC2EN derivatives as probes of influenza virus sialidase 150-loop flexibility

4GB1 · Neuraminidase: “Synthesis and evaluation of novel 3-C-alkylated-NEU5AC2EN derivatives as probes of influenza virus sialidase…”. X-ray diffraction, 2 ligands (0LP, CA), 2 pockets (best druggability 0.63). MolNFT v1 #92533 on…

PDB: 4GB1
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: Q07599
Ligands: 0LP, CA
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase (EC 3.2.1.18)	protein	387	4% helix, 47% strand	Q07599

Ligands and binding sites

0LP · 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic 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	364	0.63	0.79	48	0LP
2	55	0.26	0.73	14	empty

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4GB1 · Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of… · 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 Q07599
Elsewhere: RCSB PDB 4GB1 · PDBe 4GB1 · UniProt Q07599

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