MolNFT v1 · #52982 · protein
Crystal structure of alpha-1,3 galactosyltransferase (ALPHA3GT) in a complex with P-nitrophenyl-beta-galactoside (pnp-beta-gal)
2WGZ · N-acetyllactosaminide alpha-1,3-galactosyl transferase: “Crystal structure of alpha-1,3 galactosyltransferase (ALPHA3GT) in a complex with…”. X-ray diffraction, 5 ligands (UDP, 147, NPO), 5 pockets (best druggability 0.75). MolNFT…
- PDB
- 2WGZ
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyllactosaminide alpha-1,3-galactosyl transferase
- EC
- 2.4.1.151, 2.4.1.87
- UniProt
- P14769
- Ligands
- UDP, 147, NPO, GAL, MN
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N-acetyllactosaminide alpha-1,3-galactosyl transferase (EC 2.4.1.151, 2.4.1.87) | protein | 287 | 37% helix, 19% strand | P14769 |
Ligands and binding sites
- UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- 147 · 4-nitrophenyl beta-D-galactopyranoside · ligand · chains A
- NPO · P-nitrophenol · ligand · chains B
- GAL · beta-D-galactopyranose · sugar · chains B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.75 | 0.88 | 35 | GAL, NPO, UDP |
| 2 | 308 | 0.74 | 0.86 | 42 | 147, UDP |
| 3 | 218 | 0.63 | 0.83 | 36 | GOL |
| 4 | 116 | 0.40 | 0.75 | 21 | empty |
| 5 | 94 | 0.35 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 853 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2WGZ · Crystal structure of alpha-1,3 galactosyltransferase (alpha3GT) in a complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P14769 · AlphaFold monomer V2.0 prediction for N-acetyllactosaminide… · 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 P14769
- Elsewhere: RCSB PDB 2WGZ · PDBe 2WGZ · UniProt P14769
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