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MolNFT v1 · #81176 · protein

Crystal structure of apo-pkr kinase domain

3UIU · Interferon-induced, double-stranded RNA-activated protein…: “Crystal structure of apo-pkr kinase domain”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #81176 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3UIU
Type
protein
Length
510 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Interferon-induced, double-stranded RNA-activated protein kinase
EC
2.7.11.1, 2.7.10.2
UniProt
P19525
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BInterferon-induced, double-stranded RNA-activated protein kinase (EC 2.7.11.1, 2.7.10.2)protein25535% helix, 20% strandP19525

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.720.9821empty
24180.680.8055empty
32520.610.8036empty
42460.580.7935empty
51250.480.7921empty

Interfaces

1 interface between chains.

  • A–B · 947 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3UIU · Crystal structure of Apo-PKR kinase domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P19525 · AlphaFold monomer V2.0 prediction for interferon-induced, double- stranded RNA-activated… · a predicted model of the same protein · chain B against A, TM-score 0.96

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