Research workbench
Crystal structure of BETA1,3-glucuronyltransferase I in complex with the active udp-glcua donor
Analyse Crystal structure of BETA1,3-glucuronyltransferase I in complex with the active… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1KWS
- Type
- protein
- Length
- 495 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.1
- Source
- Homo sapiens
- Molecule
- Beta-1,3-glucuronyltransferase 3
- UniProt
- O94766
- Ligands
- UGA, MN
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · resolution 2.1 · 2 distinct chains · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-1,3-glucuronyltransferase 3 | protein | 250 | 28% helix, 24% strand | O94766 |
| B | Beta-1,3-glucuronyltransferase 3 | protein | 245 | 29% helix, 25% strand | O94766 |
Ligands and binding sites
- UGA · Uridine-5'-diphosphate-glucuronic acid · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.69 | 0.80 | 54 | MN, UGA |
| 2 | 443 | 0.65 | 0.78 | 46 | MN, UGA |
| 3 | 119 | 0.51 | 0.81 | 19 | empty |
| 4 | 132 | 0.51 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2167 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 1KWS · Crystal structure of BETA1,3-glucuronyltransferase I in complex with the active udp-glcua… · the same entry in another collection · chain A against A, TM-score 1.00
- O94766 · AlphaFold monomer V2.0 prediction for galactosylgalactosylxylosylprotein… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O94766
- Elsewhere: RCSB PDB 1KWS · PDBe 1KWS · UniProt O94766
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