Research workbench
Crystal structure of the unphosphorylated kinase domain of the tyrosine kinase ACK1
Analyse Crystal structure of the unphosphorylated kinase domain of the tyrosine kinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U46
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activated CDC42 kinase 1
- EC
- 2.7.1.112
- UniProt
- Q07912
- Ligands
- CL
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Activated CDC42 kinase 1 (EC 2.7.1.112) | protein | 255 | 44% helix, 20% strand | Q07912 |
| B | Activated CDC42 kinase 1 (EC 2.7.1.112) | protein | 257 | 40% helix, 19% strand | Q07912 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.60 | 0.77 | 35 | empty |
| 2 | 301 | 0.59 | 0.77 | 42 | empty |
| 3 | 224 | 0.59 | 0.80 | 27 | empty |
| 4 | 164 | 0.54 | 0.80 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 677 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1U46 · Crystal Structure of the Unphosphorylated Kinase Domain of the Tyrosine Kinase ACK1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q07912 · AlphaFold monomer V2.0 prediction for activated CDC42 kinase 1 (Q07912) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q07912
- Elsewhere: RCSB PDB 1U46 · PDBe 1U46 · UniProt Q07912
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