MolNFT v1 · #58917 · protein
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand
3BHY · Death-associated protein kinase 3: “Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand”. X-ray diffraction, 2 ligands (7CP, CL), 2 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 3BHY
- Type
- protein
- Length
- 268 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Death-associated protein kinase 3
- EC
- 2.7.11.1
- UniProt
- O43293
- Ligands
- 7CP, CL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Death-associated protein kinase 3 (EC 2.7.11.1) | protein | 268 | 41% helix, 19% strand | O43293 |
Ligands and binding sites
- 7CP · (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 379 | 0.65 | 0.79 | 41 | CL, 7CP |
| 2 | 64 | 0.31 | 0.75 | 16 | empty |
Compared structures
- 3BHY · Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- O43293 · AlphaFold monomer V2.0 prediction for death-associated protein kinase 3 (O43293) · 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 O43293
- Elsewhere: RCSB PDB 3BHY · PDBe 3BHY · UniProt O43293
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