Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94197 | Target Info | |||
| Target Name | Protein kinase N2 (PKN2) | ||||
| Synonyms | Serine/threonine-protein kinase N2; Protein-kinase C-related kinase 2; Protein kinase C-like 2; PRKCL2; PRK2; PKN gamma | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PKN2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Crystal structure of Akt1 in complex with a selective inhibitor | PDB:6CCY | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSLRVTMNEF
150 EYLKLLGKGT160 FGKVILVKEK170 ATGRYYAMKI180 LKKEVIVAKD190 EVAHTLTESR 200 VLQNSRHPFL210 TALKYSFQTH220 DRLCFVMEYA230 NGGELFFHLS240 RERVFSEDRA 250 RFYGAEIVSA260 LDYLHSEKNV270 VYRDLKLENL280 MLDKDGHIKI290 TDFGLCKEGI 300 KDGATMKFCG311 TPEYLAPEVL321 EDNDYGRAVD331 WWGLGVVMYE341 MMCGRLPFYN 351 QDHEKLFELI361 LMEEIRFPRT371 LGPEAKSLLS381 GLLKKDPKQR391 LGGGPSDAKE 401 IMQHRFFAGI411 VWQHVYEKKL421 SPPFKPQVTS431 EVDTRYFDEE441 FTAQMITITE 468 QEMFRDFDYI478 ADWEG
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | PDB:4CRS | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [2] |
| PDB Sequence |
SMSQQRFQFN
653 LQDFRCCAVL663 LRGHFGKVLL673 AEYKNTNEMF683 AIKALKKGDI693 VARDEVDSLM 703 CEKRIFETVN713 SVRHPFLVNL723 FACFQTKEHV733 CFVMEYAAGG743 DLMMHIHTDV 753 FEPRAVFYAA764 CVVLGLQYLH774 EHKIVYRDLK784 LDNLLLDTEG794 FVKIADFGLC 804 KEGMGYGDRT814 SFCGTPEFLA825 PEVLTETSYT835 RAVDWWGLGV845 LIYEMLVGES 855 PFPGDDEEEV865 FDSIVNDEVR875 YPRFLSTEAI885 SIMRRLLRRN895 PERRLGASEK 905 DAEDVKKHPF915 FRLIDWSALM925 DKKVKPPFIP935 TIRGREDVSN945 FDDEFTSEAP 955 ILPPREPREM973 FRDFDYIADW983 C
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| Ligand Name: (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of Akt1 in complex with a selective inhibitor | PDB:6CCY | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSLRVTMNEF
150 EYLKLLGKGT160 FGKVILVKEK170 ATGRYYAMKI180 LKKEVIVAKD190 EVAHTLTESR 200 VLQNSRHPFL210 TALKYSFQTH220 DRLCFVMEYA230 NGGELFFHLS240 RERVFSEDRA 250 RFYGAEIVSA260 LDYLHSEKNV270 VYRDLKLENL280 MLDKDGHIKI290 TDFGLCKEGI 300 KDGATMKFCG311 TPEYLAPEVL321 EDNDYGRAVD331 WWGLGVVMYE341 MMCGRLPFYN 351 QDHEKLFELI361 LMEEIRFPRT371 LGPEAKSLLS381 GLLKKDPKQR391 LGGGPSDAKE 401 IMQHRFFAGI411 VWQHVYEKKL421 SPPFKPQVTS431 EVDTRYFDEE441 FTAQMITITE 468 QEMFRDFDYI478 ADWEG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EX4 or .EX42 or .EX43 or :3EX4;style chemicals stick;color identity;select .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:177 or .A:179 or .A:180 or .A:181 or .A:211 or .A:227 or .A:228 or .A:229 or .A:230 or .A:234 or .A:278 or .A:281 or .A:291 or .A:438 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU156
3.588
GLY157
3.378
LYS158
3.827
GLY159
3.405
THR160
3.808
PHE161
3.518
GLY162
2.984
LYS163
3.394
VAL164
3.472
ALA177
3.426
LYS179
3.664
ILE180
4.462
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| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | PDB:4CRS | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [2] |
| PDB Sequence |
SMSQQRFQFN
653 LQDFRCCAVL663 LRGHFGKVLL673 AEYKNTNEMF683 AIKALKKGDI693 VARDEVDSLM 703 CEKRIFETVN713 SVRHPFLVNL723 FACFQTKEHV733 CFVMEYAAGG743 DLMMHIHTDV 753 FEPRAVFYAA764 CVVLGLQYLH774 EHKIVYRDLK784 LDNLLLDTEG794 FVKIADFGLC 804 KEGMGYGDRT814 SFCGTPEFLA825 PEVLTETSYT835 RAVDWWGLGV845 LIYEMLVGES 855 PFPGDDEEEV865 FDSIVNDEVR875 YPRFLSTEAI885 SIMRRLLRRN895 PERRLGASEK 905 DAEDVKKHPF915 FRLIDWSALM925 DKKVKPPFIP935 TIRGREDVSN945 FDDEFTSEAP 955 ILPPREPREM973 FRDFDYIADW983 C
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGS or .AGS2 or .AGS3 or :3AGS;style chemicals stick;color identity;select .A:663 or .A:664 or .A:665 or .A:666 or .A:667 or .A:668 or .A:669 or .A:671 or .A:684 or .A:686 or .A:721 or .A:737 or .A:738 or .A:739 or .A:740 or .A:744 or .A:782 or .A:784 or .A:786 or .A:787 or .A:789 or .A:799 or .A:800 or .A:946; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU663
3.649
LEU664
2.943
ARG665
4.485
GLY666
2.973
HIS667
2.955
PHE668
2.746
GLY669
3.518
VAL671
3.158
ALA684
3.501
LYS686
2.794
VAL721
3.982
MET737
3.494
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT. Bioorg Med Chem Lett. 2018 Jun 1;28(10):1887-1891. | ||||
| REF 2 | Structure of Pkn2 | ||||
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