MolNFT v1 · #94541 · protein
Crystal structure of ACK1 kinase domain with C-terminal SH3 domain
4HZS · Activated CDC42 kinase 1: “Crystal structure of ACK1 kinase domain with C-terminal SH3 domain”. X-ray diffraction, 7 pockets (best druggability 0.71). MolNFT v1 #94541 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HZS
- Type
- protein
- Length
- 1,276 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Activated CDC42 kinase 1
- EC
- 2.7.10.2, 2.7.11.1
- UniProt
- Q07912
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Activated CDC42 kinase 1 (EC 2.7.10.2, 2.7.11.1) | protein | 319 | 36% helix, 19% strand | Q07912 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.71 | 0.84 | 37 | empty |
| 2 | 404 | 0.70 | 0.81 | 42 | empty |
| 3 | 276 | 0.68 | 0.83 | 31 | empty |
| 4 | 321 | 0.67 | 0.81 | 34 | empty |
| 5 | 86 | 0.38 | 0.77 | 18 | empty |
Interfaces
3 interfaces between chains.
- C–D · 820 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 806 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 366 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4HZS · Crystal structure of Ack1 kinase domain with C-terminal SH3 domain · the same entry in another collection · chain D against D, TM-score 1.00
- Q07912 · AlphaFold monomer V2.0 prediction for activated CDC42 kinase 1 (Q07912) · a predicted model of the same protein · chain A 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 Q07912
- Elsewhere: RCSB PDB 4HZS · PDBe 4HZS · UniProt Q07912
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