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 T08813 Target Info
Target Name cAMP-dependent protein kinase A type I (PRKAR1A)
Synonyms cAMP-dependent protein kinase type I-alpha regulatory subunit; Tissue-specific extinguisher 1; TSE1; PRKAR1; PKR1
Target Type Literature-reported Target
Gene Name PRKAR1A
Biochemical Class Kinase
UniProt ID
KAP0_HUMAN
Ligand General Information  Top
Ligand Name [3H]cAMP Ligand Info
Canonical SMILES C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
InChI 1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey IVOMOUWHDPKRLL-KQYNXXCUSA-N
PubChem Compound ID 6076
Drug Binding Sites of Target  Top
PDB ID: 5KJX      Co-crystal Structure of PKA RI alpha CNB-B domain with cAMP
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
RKRKMYEEFL
250
SKVSILESLD
260
KWERLTVADA
270
LEPVQFEDGQ
280
KIVVQGEPGD
290

EFFIILEGSA
300
AVLQRRSENE
310
EFVEVGRLGP
320
SDYFGEIALL
330
MNRPRAATVV
340

ARGPLKCVKL
350
DRPRFERVLG
360
PCSDILKRNI
370
QQYNSFVSLS
380
V
Residue
Distance (Å)
VAL283
3.849
VAL302
3.701
GLN304
3.618
VAL315
4.235
LEU318
4.914
TYR323
4.479
PHE324
3.215
GLY325
2.974
GLU326
2.574
ILE327
3.216
Residue
Distance (Å)
ALA328
3.075
PRO334
4.502
ARG335
2.920
ALA336
2.738
ALA337
3.354
VAL339
3.672
TYR373
3.249
ASN374
2.969
SER375
3.561
LEU379
4.407
PDB ID: 5KJY      Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
STLRKRKMYE
247
EFLSKVSILE
257
SLDKWERLTV
267
ADALEPVQFE
277
DGQKIVVQGE
287

PGDEFFIILE
297
GSAAVLQRRS
307
EEFVEVRRLG
319
PSDYFGEIAL
329
LMNRPRTATV
339

VARGPLKCVK
349
LDRPRFERVL
359
GPCSDILKRN
369
IQQYNSFVSL
379
Residue
Distance (Å)
VAL283
3.876
VAL302
3.801
GLN304
3.507
VAL315
3.752
ARG316
3.320
LEU318
4.672
TYR323
4.480
PHE324
3.141
GLY325
2.855
GLU326
2.628
ILE327
3.232
Residue
Distance (Å)
ALA328
2.985
LEU329
4.953
PRO334
4.792
ARG335
2.844
THR336
2.770
ALA337
3.518
VAL339
3.802
TYR373
3.394
ASN374
2.764
SER375
3.587
References  Top
REF 1 Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem J. 2017 Jul 6;474(14):2389-2403.

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