Crystal structure of human M340H-beta-1,4-galactosyltransferase-I (M340H-B4GAL-T1) in complex with chitotriose

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 22% strand (DSSP).

Ligands and binding sites

• UDH · 6-aminohexyl-uridine-C1,5'-diphosphate · ligand · 3 copies · chains A, B, C
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B, C
• MN · Manganese (II) ion · metal · 3 copies · chains A, B, C
• SO4 · Sulfate ion · ion · 16 copies · chains A, B, C
• GOL · Glycerol · additive · 7 copies · chains A, B, C
• DIO · 1,4-diethylene dioxide · additive · 2 copies · chains A, C
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains C

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

Pockets

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

Interfaces

2 interfaces between chains.

• A–B · 627 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 539 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 2AH9 · Crystal Structure of Human M340H-Beta-1,4-Galactosyltransferase-I (M340H-B4Gal-T1) in… · the same entry in another collection · chain A against A, TM-score 1.00
• P15291 · AlphaFold monomer V2.0 prediction for beta-1,4-galactosyltransferase 1 (P15291) · a predicted model of the same protein · chain B 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 P15291
• Elsewhere: RCSB PDB 2AH9 · PDBe 2AH9 · UniProt P15291