Research workbench
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6- amino-5-nitropyridin-2-YL)AMINO)ETHYL)AMINO)-2-(2,4-dichlorophenyl) pyridin-3-yl)-4-methylpiperazin-2-one
Analyse Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6V6L
- Type
- protein
- Length
- 344 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen synthase kinase-3 beta
- EC
- 2.7.11.26, 2.7.11.1
- UniProt
- P49841
- Ligands
- QQA, PO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen synthase kinase-3 beta (EC 2.7.11.26, 2.7.11.1) | protein | 344 | 33% helix, 19% strand | P49841 |
Ligands and binding sites
- QQA · 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl) amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.66 | 0.84 | 26 | QQA |
| 2 | 93 | 0.34 | 0.74 | 17 | empty |
| 3 | 70 | 0.31 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6V6L · Co-structure of human glycogen synthase kinase beta with… · the same entry in another collection · chain A against A, TM-score 1.00
- P49841 · AlphaFold monomer V2.0 prediction for glycogen synthase kinase-3 beta (P49841) · a predicted model of the same protein · chain A 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 P49841
- Elsewhere: RCSB PDB 6V6L · PDBe 6V6L · UniProt P49841
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