MolNFT v1 · #21132 · protein

Trypanosoma cruzi trans-sialidase in complex with sialyl-lactose (michaelis complex)

1S0I: “Trypanosoma cruzi trans-sialidase in complex with sialyl-lactose (michaelis complex)”. X-ray diffraction, 3 ligands (GLC, GAL, SIA), 4 pockets (best druggability 0.66). MolNFT v1 #21132 on GenesisL1: 3D structure, binding sites and…

PDB: 1S0I
Type: protein
Length: 623 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trans-sialidase
EC: 3.2.1.18
UniProt: Q26966
Ligands: GLC, GAL, SIA
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trans-sialidase (EC 3.2.1.18)	protein	623	7% helix, 47% strand	Q26966

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · chains A
GAL · beta-D-galactopyranose · sugar · chains A
SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A

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

Pockets

4 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	311	0.66	0.81	35	GAL, SIA
2	250	0.57	0.78	20	empty
3	51	0.29	0.76	14	empty
4	51	0.22	0.71	17	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

1S0I · Trypanosoma cruzi trans-sialidase in complex with sialyl-lactose (Michaelis complex) · 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 Q26966
Elsewhere: RCSB PDB 1S0I · PDBe 1S0I · UniProt Q26966

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