Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23606 Target Info
Target Name Protein kinase G2 (PRKG2)
Synonyms cGMP-dependent protein kinase II; cGMP-dependent protein kinase 2; cGKII; cGK2; cGK 2; PRKGR2
Target Type Literature-reported Target
Gene Name PRKG2
UniProt ID
KGP2_HUMAN
Ligand General Information  Top
Ligand Name 8-Pcpt-cgmp Ligand Info
Canonical SMILES C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)OP(=O)(O1)O
InChI 1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1
InChIKey ZDJHIEHUVPCEDK-IDTAVKCVSA-N
PubChem Compound ID 135445697
Drug Binding Sites of Target  Top
PDB ID: 5JIZ      PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
Method X-ray diffraction Resolution 1.50 Å Mutation No [1]
PDB Sequence
STAQARDEQY
277
RNFLRSVSLL
287
KNLPEDKLTK
297
IIDCLEVEYY
307
DKGDYIIREG
317

EEGSTFFILA
327
KGKVKVTQST
337
EGHDQPQLIK
347
TLQKGEYFGE
357
KALISDDVRS
367

ANIIAEENDV
377
ACLVIDRETF
387
NQTVGTFEEL
397
QKYLEGYVAN
407
LNRDDEKRHA
417

K
Residue
Distance (Å)
ILE314
2.894
GLY320
4.865
PHE323
4.413
VAL333
2.846
GLN335
2.465
ILE346
2.885
LYS347
2.883
LEU349
3.005
TYR354
2.687
PHE355
2.589
GLY356
1.940
GLU357
1.835
LYS358
2.655
ALA359
2.019
LEU360
4.645
VAL365
4.303
Residue
Distance (Å)
ARG366
1.943
SER367
1.681
ALA368
2.439
ASN369
4.243
ILE370
2.678
LYS399
3.305
LEU401
3.276
GLU402
2.872
GLY403
3.286
TYR404
2.767
VAL405
4.276
ALA406
3.286
LEU408
2.313
ASP411
3.680
ASP412
1.917
ARG415
2.513
PDB ID: 6BQ8      Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP
Method X-ray diffraction Resolution 2.00 Å Mutation No [2]
PDB Sequence
TAQARDEQYR
278
NFLRSVSLLK
288
NLPEDKLTKI
298
IDCLEVEYYD
308
KGDYIIREGE
318

EGSTFFILAK
328
GKVKVTQSTE
338
GHDQPQLIKT
348
LQKGEYFGEK
358
ALISDDVRSA
368

NIIAEENDVA
378
CLVIDRETFN
388
QTVGTFEELQ
398
KYLEGYVANL
408
NRDDEKRHAK
418
Residue
Distance (Å)
ILE314
2.877
PHE323
4.366
VAL333
3.113
GLN335
2.500
ILE346
3.007
LYS347
2.032
LEU349
2.811
TYR354
2.429
PHE355
2.209
GLY356
2.056
GLU357
1.677
LYS358
2.604
ALA359
2.316
LEU360
4.637
Residue
Distance (Å)
VAL365
4.281
ARG366
1.799
SER367
1.738
ALA368
2.567
ASN369
4.335
ILE370
2.672
LEU401
4.463
TYR404
3.357
LEU408
2.770
ASN409
4.794
ASP411
3.623
ASP412
1.763
ARG415
2.388
References  Top
REF 1 PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
REF 2 Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator. Biochemistry. 2018 Mar 27;57(12):1833-1837.

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