MolNFT v1 · #10760 · protein
Binary complex structure of human tau protein kinase I with amppnp
1J1B · Glycogen synthase kinase-3 beta: “Binary complex structure of human tau protein kinase I with amppnp”. X-ray diffraction, 1 ligand (ANP), 12 pockets (best druggability 0.78). MolNFT v1 #10760 on GenesisL1: 3D structure, binding…
- PDB
- 1J1B
- Type
- protein
- Length
- 718 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen synthase kinase-3 beta
- EC
- 2.7.1.37
- UniProt
- P49841
- Ligands
- ANP
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen synthase kinase-3 beta (EC 2.7.1.37) | protein | 354 | 33% helix, 19% strand | P49841 |
| B | Glycogen synthase kinase-3 beta (EC 2.7.1.37) | protein | 364 | 34% helix, 21% strand | P49841 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.78 | 0.98 | 32 | empty |
| 2 | 382 | 0.75 | 0.85 | 38 | empty |
| 3 | 450 | 0.71 | 0.81 | 47 | empty |
| 4 | 366 | 0.71 | 0.83 | 38 | ANP |
| 5 | 364 | 0.69 | 0.82 | 44 | ANP |
Interfaces
1 interface between chains.
- A–B · 1653 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1J1B · Binary complex structure of human tau protein kinase I with AMPPNP · 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 P49841
- Elsewhere: RCSB PDB 1J1B · PDBe 1J1B · UniProt P49841
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