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 [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: 4QX5      Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design
Method X-ray diffraction Resolution 1.32 Å Mutation No [1]
PDB Sequence
IKHTEYMEFL
231
KSVPTFQSLP
241
EEILSKLADV
251
LEETHYENGE
261
YIIRQGARGD
271

TFFIISKGTV
281
NVTREDEDPV
294
FLRTLGKGDW
304
FGEKALQGED
314
VRTANVIAAE
324

AVTCLVIDRD
334
SFKHLIGGLD
344
DVSNKAY
Residue
Distance (Å)
ILE264
3.906
VAL283
3.604
ARG285
4.088
LEU296
3.326
ARG297
3.084
LEU299
4.829
TRP304
4.600
PHE305
3.237
GLY306
2.997
GLU307
2.947
Residue
Distance (Å)
LYS308
3.182
ALA309
2.887
LEU310
4.961
VAL315
4.144
ARG316
2.908
THR317
2.875
ALA318
3.578
VAL320
3.849
TYR351
3.217
PDB ID: 3OCP      Crystal structure of cAMP bound cGMP-dependent protein kinase(92-227)
Method X-ray diffraction Resolution 2.49 Å Mutation No [2]
PDB Sequence
SHVTLPFYPK
101
SPQSKDLIKE
111
AILDNDFMKN
121
LELSQIQEIV
131
DCMYPVEYGK
141

DSCIIKEGDV
151
GSLVYVMEDG
161
KVEVTKEGVK
171
LCTMGPGKVF
181
GELAILYNCT
191

RTATVKTLVN
201
VKLWAIDRQC
211
FQTIMMR
Residue
Distance (Å)
ILE146
3.913
VAL165
3.808
LEU172
3.561
CYS173
3.359
MET175
4.791
VAL180
4.564
PHE181
3.348
GLY182
2.931
GLU183
2.651
Residue
Distance (Å)
LEU184
3.313
ALA185
2.929
ILE186
4.811
THR191
4.408
ARG192
2.887
THR193
2.758
ALA194
3.600
VAL196
3.887
PDB ID: 3OGJ      Crystal structure of partial apo (92-227) of cGMP-dependent protein kinase
Method X-ray diffraction Resolution 2.75 Å Mutation No [2]
PDB Sequence
SHVTLPFYPK
101
SPQSKDLIKE
111
AILDNDFMKN
121
LELSQIQEIV
131
DCMYPVEYGK
141

DSCIIKEGDV
151
GSLVYVMEDG
161
KVEVTKEGVK
171
LCTMGPGKVF
181
GELAILYNCT
191

RTATVKTLVN
201
VKLWAIDRQC
211
FQTIMMRT
Residue
Distance (Å)
ILE146
3.868
VAL165
3.829
LEU172
3.202
CYS173
3.448
MET175
3.763
VAL180
4.222
PHE181
3.022
GLY182
2.629
GLU183
2.600
Residue
Distance (Å)
LEU184
3.185
ALA185
2.922
ILE186
4.880
THR191
4.645
ARG192
2.981
THR193
3.124
ALA194
3.671
VAL196
4.372
References  Top
REF 1 Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: insights for cGMP-dependent protein kinase agonist design. Biochemistry. 2014 Nov 4;53(43):6725-7.
REF 2 Co-crystal structures of PKG Ibeta (92-227) with cGMP and cAMP reveal the molecular details of cyclic-nucleotide binding. PLoS One. 2011 Apr 19;6(4):e18413.

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