MolNFT v1 · #17797 · protein
Death associated protein kinase catalytic domain with bound inhibitor fragment
1P4F · Death-associated protein kinase 1: “Death associated protein kinase catalytic domain with bound inhibitor fragment”. X-ray diffraction, 1 ligand (86Q), 1 pocket (best druggability 0.67). MolNFT v1 #17797 on GenesisL1: 3D structure…
- PDB
- 1P4F
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Death-associated protein kinase 1
- EC
- 2.7.1.-
- UniProt
- P53355
- Ligands
- 86Q
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Death-associated protein kinase 1 (EC 2.7.1.-) | protein | 269 | 35% helix, 20% strand | P53355 |
Ligands and binding sites
- 86Q · 5,6-Dihydro-benzo[H]cinnolin-3-ylamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 447 | 0.67 | 0.79 | 45 | 86Q |
Compared structures
- 1P4F · Death associated protein kinase catalytic domain with bound inhibitor 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 0.97
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 P53355
- Elsewhere: RCSB PDB 1P4F · PDBe 1P4F · UniProt P53355
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