MolNFT v1 · #25617 · protein

Vibrio cholerae sialidase with alpha-2,6-sialyllactose

1W0P: “Vibrio cholerae sialidase with alpha-2,6-sialyllactose”. X-ray diffraction, 2 ligands (SIA, CA), 7 pockets (best druggability 0.71). MolNFT v1 #25617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1W0P
Type: protein
Length: 753 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sialidase
EC: 3.2.1.18
UniProt: P37060
Ligands: SIA, CA
Pockets: 7 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sialidase (EC 3.2.1.18)	protein	753	8% helix, 50% strand	P37060

Ligands and binding sites

SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
CA · Calcium ion · metal · 4 copies · chains A
GOL · Glycerol · additive · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	315	0.71	0.84	44	empty
2	258	0.64	0.82	25	empty
3	140	0.58	0.84	27	GOL
4	151	0.46	0.77	24	empty
5	139	0.44	0.76	27	empty

Compared structures

1W0P · Vibrio cholerae sialidase with alpha-2,6-sialyllactose · 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 P37060
Elsewhere: RCSB PDB 1W0P · PDBe 1W0P · UniProt P37060

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.