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Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3- triazoles in complex with glycogen phosphorylase
Analyse Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3- triazoles… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G2H
- Type
- protein
- Length
- 807 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
- KOT, IMP
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen phosphorylase, muscle form (EC 2.4.1.1) | protein | 807 | 53% helix, 15% strand | P00489 |
Ligands and binding sites
- KOT · 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole · ligand · chains A
- IMP · Inosinic acid · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 307 | 0.84 | 0.94 | 43 | KOT, DMS |
| 2 | 70 | 0.69 | 0.95 | 22 | empty |
| 3 | 389 | 0.67 | 0.80 | 55 | empty |
| 4 | 111 | 0.53 | 0.82 | 19 | empty |
| 5 | 179 | 0.50 | 0.77 | 21 | IMP |
Modifications
Observed in the structure: 1 modified (cofactor).
Compared structures
- 3G2H · Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex… · 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 3G2H · PDBe 3G2H · UniProt P00489
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