MolNFT v1 · #119996 · protein

Tl-gal with glucose

5GLZ · Galectin: “Tl-gal with glucose”. X-ray diffraction, 1 ligand (BGC), 12 pockets (best druggability 0.75). MolNFT v1 #119996 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GLZ
Type: protein
Length: 1,112 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Galectin
Ligands: BGC
Pockets: 12 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Galectin	protein	278	1% helix, 55% strand	—

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	778	0.75	0.80	110	empty
2	189	0.63	0.84	34	empty
3	304	0.63	0.80	46	empty
4	156	0.60	0.84	30	empty
5	210	0.59	0.81	31	empty

Interfaces

3 interfaces between chains.

C–D · 960 Å² buried · 23 hydrogen bonds · protein-protein
A–D · 740 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 434 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 glycan (C-mannosylation).

Compared structures

5GLZ · Tl-gal with Glucose · 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 5GLZ · PDBe 5GLZ

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