Research workbench
Crystal structure of adaptor protein 2 associated kinase 1 (AAK1) in complex with LKB1 (AAK1 dual inhibitor)
Analyse Crystal structure of adaptor protein 2 associated kinase 1 (AAK1) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5L4Q
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AP2-associated protein kinase 1
- EC
- 2.7.11.1
- UniProt
- Q2M2I8
- Ligands
- LKB
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AP2-associated protein kinase 1 (EC 2.7.11.1) | protein | 293 | 36% helix, 20% strand | Q2M2I8 |
| B | AP2-associated protein kinase 1 (EC 2.7.11.1) | protein | 287 | 37% helix, 20% strand | Q2M2I8 |
Ligands and binding sites
- LKB · ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.69 | 0.82 | 42 | LKB, EDO |
| 2 | 361 | 0.67 | 0.81 | 41 | LKB, EDO |
| 3 | 356 | 0.66 | 0.80 | 40 | empty |
| 4 | 341 | 0.55 | 0.75 | 43 | empty |
| 5 | 73 | 0.38 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 560 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5L4Q · Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1… · the same entry in another collection · chain A against A, TM-score 1.00
- Q2M2I8 · AlphaFold monomer V2.0 prediction for AP2-associated protein kinase 1 (Q2M2I8) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q2M2I8
- Elsewhere: RCSB PDB 5L4Q · PDBe 5L4Q · UniProt Q2M2I8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.