Research workbench
BETA1,4-galactosyltransferase mutant M344H-gal-T1 in complex with chitobiose
Analyse BETA1,4-galactosyltransferase mutant M344H-gal-T1 in complex with chitobiose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TW5
- 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
- UDH, NAG, MN, SO4
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 24% 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 | 24% helix, 22% strand | P08037 |
Ligands and binding sites
- UDH · 6-aminohexyl-uridine-C1,5'-diphosphate · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
- MN · Manganese (II) 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, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
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 | 306 | 0.69 | 0.83 | 39 | NAG, MN, UDH |
| 2 | 342 | 0.68 | 0.82 | 41 | NAG, MN, UDH |
| 3 | 178 | 0.63 | 0.84 | 28 | empty |
| 4 | 90 | 0.47 | 0.81 | 21 | empty |
| 5 | 136 | 0.45 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 433 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1TW5 · beta1,4-galactosyltransferase mutant M344H-Gal-T1 in complex with Chitobiose · 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 1TW5 · PDBe 1TW5 · UniProt P08037
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