MolNFT v1 · #26619 · protein
Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes
1WUT · Glycogen phosphorylase, muscle form: “Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes”. X-ray diffraction, 2 ligands (PLP, BN2), 13 pockets (best druggability 0.85). MolNFT v1 #26619…
- PDB
- 1WUT
- Type
- protein
- Length
- 816 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen phosphorylase, muscle form
- EC
- 2.4.1.1
- UniProt
- P00489
- Ligands
- PLP, BN2
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen phosphorylase, muscle form (EC 2.4.1.1) | protein | 816 | 51% helix, 15% strand | P00489 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains A
- BN2 · 7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.85 | 0.96 | 55 | PLP |
| 2 | 150 | 0.79 | 0.96 | 42 | empty |
| 3 | 291 | 0.70 | 0.85 | 33 | empty |
| 4 | 175 | 0.53 | 0.79 | 26 | empty |
| 5 | 114 | 0.52 | 0.81 | 20 | empty |
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1WUT · Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2… · the same entry in another collection · 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 P00489
- Elsewhere: RCSB PDB 1WUT · PDBe 1WUT · UniProt P00489
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