Research workbench
Crystal structure of PRK1 catalytic domain in complex with ro-31-8220
Analyse Crystal structure of PRK1 catalytic domain in complex with ro-31-8220 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OTH
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase N1
- EC
- 2.7.11.13
- UniProt
- Q16512
- Ligands
- DRN
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase N1 (EC 2.7.11.13) | protein | 306 | 36% helix, 16% strand | Q16512 |
Ligands and binding sites
- DRN · Bisindolylmaleimide IX · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.75 | 0.87 | 33 | DRN |
| 2 | 153 | 0.47 | 0.77 | 24 | empty |
| 3 | 54 | 0.26 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, phosphorylation).
Compared structures
- 4OTH · Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 · the same entry in another collection · chain A against A, TM-score 1.00
- Q16512 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase N1 (Q16512) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q16512
- Elsewhere: RCSB PDB 4OTH · PDBe 4OTH · UniProt Q16512
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