MolNFT v1 · #23302 · protein
Beta-1,4-galactosyltransferase mutant MET344HIS (M344H-gal-T1) complex with udp-galactose and magnesium
1TW1 · Beta-1,4-galactosyltransferase 1: “Beta-1,4-galactosyltransferase mutant MET344HIS (M344H-gal-T1) complex with udp-galactose and magnesium”. X-ray diffraction, 3 ligands (GDU, MG, SO4), 6 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 1TW1
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,4-galactosyltransferase 1
- EC
- 2.4.1.22, 2.4.1.90, 2.4.1.38
- UniProt
- P08037
- Ligands
- GDU, MG, SO4
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-1,4-galactosyltransferase 1 (EC 2.4.1.22, 2.4.1.90, 2.4.1.38) | protein | 272 | 26% helix, 22% strand | P08037 |
Ligands and binding sites
- GDU · Galactose-uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- DIO · 1,4-diethylene dioxide · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 307 | 0.70 | 0.84 | 39 | GDU, MG |
| 2 | 279 | 0.69 | 0.84 | 37 | GDU |
| 3 | 154 | 0.63 | 0.85 | 27 | empty |
| 4 | 82 | 0.46 | 0.81 | 22 | empty |
| 5 | 126 | 0.42 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 430 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1TW1 · beta-1,4-galactosyltransferase mutant Met344His (m344H-Gal-T1) complex with UDP-galactose… · the same entry in another collection · chain A against A, TM-score 1.00
- P08037 · AlphaFold monomer V2.0 prediction for beta-1,4-galactosyltransferase 1 (P08037) · a predicted model of the same protein · 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
- Every structure of UniProt P08037
- Elsewhere: RCSB PDB 1TW1 · PDBe 1TW1 · UniProt P08037
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