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 T78543 Target Info
Target Name Protein kinase G1 (PRKG1)
Synonyms cGMP-dependent protein kinase I; cGMP-dependent protein kinase 1; cGKI; cGK1; cGK 1; PRKGR1B; PRKGR1A; PRKG1B
Target Type Literature-reported Target
Gene Name PRKG1
Biochemical Class Kinase
UniProt ID
KGP1_HUMAN
Ligand General Information  Top
Ligand Name AMP-PNP Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
InChI 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey PVKSNHVPLWYQGJ-KQYNXXCUSA-N
PubChem Compound ID 33113
Drug Binding Sites of Target  Top
PDB ID: 7LV3      Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state
Method X-ray diffraction Resolution 2.41 Å Mutation No [1]
PDB Sequence
RTKRQAISAE
82
PTAFDIQDLS
92
HVTLPFYPKS
102
PQSKDLIKEA
112
ILDNDFMKNL
122

ELSQIQEIVD
132
CMYPVEYGKD
142
SCIIKEGDVG
152
SLVYVMEDGK
162
VEVTKEGVKL
172

CTMGPGKVFG
182
ELAILYNCTR
192
TATVKTLVNV
202
KLWAIDRQCF
212
QTIMMRTGLI
222

KHTEYMEFLK
232
SVPTFQSLPE
242
EILSKLADVL
252
EETHYENGEY
262
IIRQGARGDT
272

FFIISKGTVN
282
VTREDSPSED
292
PVFLRTLGKG
302
DWFGEKALQG
312
EDVRTANVIA
322

AEAVTCLVID
332
RDSFKHLIAE
355
AKAKYEAEAA
365
FFANLKLSDF
375
NIIDTLGVGG
385

FGRVELVQLK
395
SEESKTFAMK
405
ILKKRHIVDT
415
RQQEHIRSEK
425
QIMQGAHSDF
435

IVRLYRTFKD
445
SKYLYMLMEA
455
CLGGELWTIL
465
RDRGSFEDST
475
TRFYTACVVE
485

AFAYLHSKGI
495
IYRDLKPENL
505
ILDHRGYAKL
515
VDFGFAKKIG
525
FGKKTWFCGT
536

PEYVAPEIIL
546
NKGHDISADY
556
WSLGILMYEL
566
LTGSPPFSGP
576
DPMKTYNIIL
586

RGIDMIEFPK
596
KIAKNAANLI
606
KKLCRDNPSE
616
RLGNLKNGVK
626
DIQKHKWFEG
636

FNWEGLRKGT
646
LTPPIIPSVA
656
SPTDTSNFDS
666
FPEDNDEPPP
676
DDNSGWDIDF
686
Residue
Distance (Å)
LEU381
3.958
GLY382
3.350
VAL383
4.279
GLY384
3.203
GLY385
3.117
PHE386
3.026
GLY387
3.337
VAL389
3.369
ALA403
3.536
LYS405
2.956
GLU424
4.795
VAL437
3.751
MET453
3.683
Residue
Distance (Å)
GLU454
3.040
ALA455
4.027
CYS456
3.280
GLU460
2.571
ASP499
3.573
LYS501
2.762
GLU503
2.669
ASN504
3.339
ILE506
3.404
VAL516
3.752
ASP517
2.916
THR536
4.937
PHE664
3.746
PDB ID: 6BG2      Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state
Method X-ray diffraction Resolution 1.83 Å Mutation No [2]
PDB Sequence
EDAEAKAKYE
346
AEAAFFANLK
356
LSDFNIIDTL
366
GVGGFGRVEL
376
VQLKSEESKT
386

FAMKILKKRH
396
IVDTRQQEHI
406
RSEKQIMQGA
416
HSDFIVRLYR
426
TFKDSKYLYM
436

LMEACLGGEL
446
WTILRDRGSF
456
EDSTTRFYTA
466
CVVEAFAYLH
476
SKGIIYRDLK
486

PENLILDHRG
496
YAKLVDFGFA
506
KKIGFGKKTW
516
FCGTPEYVAP
527
EIILNKGHDI
537

SADYWSLGIL
547
MYELLTGSPP
557
FSGPDPMKTY
567
NIILRGIDMI
577
EFPKKIAKNA
587

ANLIKKLCRD
597
NPSERLGNLK
607
NGVKDIQKHK
617
WFEGFNWEGL
627
RKGTLTPPII
637

PSVASPTDTS
647
NFDSFPEDND
657
EPPPDDNSGW
667
DIDF
Residue
Distance (Å)
LEU366
3.734
GLY367
3.535
VAL368
4.424
GLY369
3.459
GLY370
3.049
PHE371
2.894
GLY372
3.075
VAL374
3.354
ALA388
3.394
LYS390
2.811
GLU409
4.715
VAL422
3.724
MET438
3.673
Residue
Distance (Å)
GLU439
2.826
ALA440
3.975
CYS441
3.252
GLU445
2.526
ASP484
3.933
LYS486
2.803
GLU488
2.767
ASN489
3.338
ILE491
3.378
VAL501
3.935
ASP502
3.011
PHE649
3.538
References  Top
REF 1 An auto-inhibited state of protein kinase G and implications for selective activation. Elife. 2022 Aug 5;11:e79530.
REF 2 Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain

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