MolNFT v1 · #111344 · protein
Crystal structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine
4YO4 · Death-associated protein kinase 1: “Crystal structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine”. X-ray diffraction, 3 ligands (4FT, CL, SO4), 2 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 4YO4
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Death-associated protein kinase 1
- EC
- 2.7.11.1
- UniProt
- P53355
- Ligands
- 4FT, CL, SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Death-associated protein kinase 1 (EC 2.7.11.1) | protein | 280 | 36% helix, 20% strand | P53355 |
Ligands and binding sites
- 4FT · phthalazine · ligand · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- ACT · Acetate ion · additive · 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 | 600 | 0.71 | 0.79 | 63 | CL, 4FT |
| 2 | 80 | 0.38 | 0.77 | 19 | empty |
Compared structures
- 4YO4 · Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment… · the same entry in another collection · chain A against A, TM-score 1.00
- P53355 · AlphaFold monomer V2.0 prediction for death-associated protein kinase 1 (P53355) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P53355
- Elsewhere: RCSB PDB 4YO4 · PDBe 4YO4 · UniProt P53355
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