MolNFT v1 · #23572 · protein
Crystal structure of the unphosphorylated kinase domain of the tyrosine kinase ACK1
1U46 · Activated CDC42 kinase 1: “Crystal structure of the unphosphorylated kinase domain of the tyrosine kinase ACK1”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.60). MolNFT v1 #23572 on GenesisL1: 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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