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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADeath-associated protein kinase 1 (EC 2.7.1.-)protein26935% helix, 20% strandP53355

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14470.670.794586Q

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

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