Research workbench
Glycogen phosphorylase inhibitors
Analyse Glycogen phosphorylase inhibitors in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ATI
- Type
- protein
- Length
- 1,582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen phosphorylase, liver form
- EC
- 2.4.1.1
- UniProt
- P06737
- Ligands
- IHU, PLP, GLC
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycogen phosphorylase, liver form (EC 2.4.1.1) | protein | 791 | 52% helix, 16% strand | P06737 |
Ligands and binding sites
- IHU · N-(2-chloro-4-fluorobenzoyl)-N'-(5-hydroxy-2-methoxyphenyl)urea · ligand · 2 copies · chains A, B
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.85 | 0.87 | 79 | empty |
| 2 | 250 | 0.84 | 0.96 | 46 | GLC, PLP |
| 3 | 236 | 0.84 | 0.96 | 47 | GLC, PLP |
| 4 | 119 | 0.76 | 0.96 | 39 | empty |
| 5 | 307 | 0.71 | 0.84 | 27 | IHU |
Interfaces
1 interface between chains.
- A–B · 2353 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
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 P06737
- Elsewhere: RCSB PDB 2ATI · PDBe 2ATI · UniProt P06737
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