Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T04831 Target Info
Target Name Tyrosine-protein kinase EIF2AK2 (p68)
Synonyms p68 kinase; Proteinkinase RNA-activated; Interferon-inducible RNA-dependent protein kinase p68; Interferon-induced, double-stranded RNA-activated protein kinase p68
Target Type Patented-recorded Target
Gene Name EIF2AK2
Biochemical Class Kinase
UniProt ID
E2AK2_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: adenosine diphosphate Ligand Info
Structure Description Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP PDB:6D3K
Method X-ray diffraction Resolution 2.60 Å Mutation No [1]
PDB Sequence
TKYTVDKRFG
264
MDFKEIELIG
274
SGGFGQVFKA
284
KHRIDGKTYV
294
IKRVKYNNEK
304

AEREVKALAK
314
LDHVNIVHYN
324
GCWDGFDYDR
356
SKTKCLFIQM
366
EFCDKGTLEQ
376

WIEKRRGEKL
386
DKVLALELFE
396
QITKGVDYIH
406
SKKLIHRDLK
416
PSNIFLVDTK
426

QVKIGDFGLV
436
TSLTLRYMSP
457
EQISSQDYGK
467
EVDLYALGLI
477
LAELLHVCDT
487

AFETSKFFTD
497
LRDGIISDIF
507
DKKEKTLLQK
517
LLSKKPEDRP
527
NTSEILRTLT
537

VWKK
Residue
Distance (Å)
ILE273
3.939
GLY274
3.988
SER275
4.910
GLY276
4.752
PHE278
3.986
GLY279
3.179
VAL281
3.501
VAL294
3.751
LYS296
2.900
VAL321
3.960
Residue
Distance (Å)
MET366
3.232
GLU367
2.916
PHE368
3.872
CYS369
3.189
THR373
3.639
GLN376
4.355
SER418
3.302
ASN419
3.013
PHE421
3.334
ASP432
2.996
Ligand Name: AMP-PNP Ligand Info
Structure Description PKR kinase domain- eIF2alpha- AMP-PNP complex. PDB:2A19
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [2]
PDB Sequence
AHTVDKRFGM
265
DFKEIELIGS
275
GGFGQVFKAK
285
HRIDGKTYVI
295
KRVKYNNEKA
305

EREVKALAKL
315
DHVNIVHYNG
325
CWDGFDYDRS
357
KTKCLFIQME
367
FCDKGTLEQW
377

IEKRRGEKLD
387
KVLALELFEQ
397
ITKGVDYIHS
407
KKLINRDLKP
417
SNIFLVDTKQ
427

VKIGDFGLVT
437
SLKNDGKRRS
448
KGTLRYMSPE
458
QISSQDYGKE
468
VDLYALGLIL
478

AELLHVCDTA
488
FETSKFFTDL
498
RDGIISDIFD
508
KKEKTLLQKL
518
LSKKPEDRPN
528

TSEILRTLTV
538
WKK
Residue
Distance (Å)
ILE273
4.489
GLY274
4.339
SER275
4.765
GLY277
4.918
PHE278
4.758
GLY279
3.678
VAL281
3.516
VAL294
3.427
LYS296
2.779
VAL321
4.738
Residue
Distance (Å)
MET366
3.217
GLU367
2.802
PHE368
3.802
CYS369
3.143
THR373
3.887
SER418
3.416
ASN419
3.485
PHE421
3.642
GLY431
4.423
ASP432
3.128
Ligand Name: Phosphonothreonine Ligand Info
Structure Description Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide and stabilizer Fusicoccin-A PDB:7OBL
Method X-ray diffraction Resolution 1.80 Å Mutation No [3]
PDB Sequence
ERHC
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:548 or .B:549 or .B:551; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG548
2.110
HIS549
1.329
Residue
Distance (Å)
CYS551
1.319
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Fusicoccin Ligand Info
Structure Description Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide and stabilizer Fusicoccin-A PDB:7OBL
Method X-ray diffraction Resolution 1.80 Å Mutation No [3]
PDB Sequence
ERHC
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FSC or .FSC2 or .FSC3 or :3FSC;style chemicals stick;color identity;select .B:551; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
CYS551
2.988
Residue
Distance (Å)
References  Top
REF 1 Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry. 2019 Jul 9;58(27):2967-2977.
REF 2 Higher-order substrate recognition of eIF2alpha by the RNA-dependent protein kinase PKR. Cell. 2005 Sep 23;122(6):887-900.
REF 3 IFN-alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol. 2023 Jun 15;30(6):573-590.e6.

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