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CGL2 in complex with blood group a tetrasaccharide

Analyse CGL2 in complex with blood group a tetrasaccharide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1ULF
Type: protein
Length: 300 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Galectin-2
Ligands: BGC, GAL, FUC, A2G
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Galectin-2	protein	150	2% helix, 47% strand	—

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
FUC · alpha-L-fucopyranose · sugar · 2 copies · chains B
A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 2 copies · chains A, B

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	142	0.54	0.81	21	empty
2	110	0.48	0.80	15	empty

Interfaces

1 interface between chains.

A–B · 995 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1ULF · CGL2 in complex with Blood Group A tetrasaccharide · 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
Elsewhere: RCSB PDB 1ULF · PDBe 1ULF

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