Research workbench
The structure of nucleotidylated galactose-1-phosphate uridylyltransferase from escherichia COLI at 1.86 ångströms resolution
Analyse The structure of nucleotidylated galactose-1-phosphate uridylyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HXQ
- Type
- protein
- Length
- 672 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexose-1-phosphate uridylyltransferase
- EC
- 2.7.7.12
- UniProt
- P09148
- Ligands
- U5P, ZN, FE
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexose-1-phosphate uridylyltransferase (EC 2.7.7.12) | protein | 340 | 29% helix, 21% strand | P09148 |
| B | Hexose-1-phosphate uridylyltransferase (EC 2.7.7.12) | protein | 332 | 28% helix, 22% strand | P09148 |
Ligands and binding sites
- U5P · Uridine-5'-monophosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.86 | 0.89 | 69 | empty |
| 2 | 735 | 0.74 | 0.79 | 57 | U5P |
| 3 | 628 | 0.72 | 0.79 | 41 | U5P |
| 4 | 130 | 0.48 | 0.79 | 29 | empty |
| 5 | 135 | 0.47 | 0.78 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 3313 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1HXQ · The structure of nucleotidylated galactose-1-phosphate uridylyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00
- P09148 · AlphaFold monomer V2.0 prediction for galactose-1-phosphate uridylyltransferase (P09148) · 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 P09148
- Elsewhere: RCSB PDB 1HXQ · PDBe 1HXQ · UniProt P09148
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