MolNFT v1 · #143761 · protein

Crystal structure of human galectin-1 in complex with lactulose

6B94: “Crystal structure of human galectin-1 in complex with lactulose”. X-ray diffraction, 2 ligands (FRU, GAL), 2 pockets (best druggability 0.40). MolNFT v1 #143761 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B94
Type: protein
Length: 268 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Galectin-1
UniProt: P09382
Ligands: FRU, GAL
Pockets: 2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 63% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Galectin-1	protein	134	0% helix, 63% strand	P09382

Ligands and binding sites

FRU · beta-D-fructofuranose · sugar · 2 copies · chains A, B
GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
BME · Beta-mercaptoethanol · additive · 11 copies · chains A, B
ACT · Acetate ion · additive · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	105	0.40	0.76	19	empty
2	53	0.28	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 319 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 covalent (additive adduct).

Compared structures

6B94 · Crystal structure of Human galectin-1 in complex with Lactulose · the same entry in another collection · chain A against A, TM-score 1.00
P09382 · AlphaFold monomer V2.0 prediction for galectin-1 (P09382) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P09382
Elsewhere: RCSB PDB 6B94 · PDBe 6B94 · UniProt P09382

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