MolNFT v1 · #56617 · protein

X-ray structure of mutant galectin-1/LACTOSE complex

2ZKN: “X-ray structure of mutant galectin-1/LACTOSE complex”. X-ray diffraction, 2 ligands (BGC, GAL), 2 pockets (best druggability 0.47). MolNFT v1 #56617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2ZKN
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: BGC, GAL
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 60% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Galectin-1	protein	134	0% helix, 60% strand	P09382

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · chains A
GAL · beta-D-galactopyranose · sugar · chains A

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	119	0.47	0.79	23	empty
2	61	0.39	0.80	14	empty

Interfaces

1 interface between chains.

A–B · 601 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

2ZKN · X-ray structure of mutant galectin-1/lactose complex · 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 0.96

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 2ZKN · PDBe 2ZKN · UniProt P09382

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