2.2 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH M NATP AND A PEPTIDE INHIBITOR
PDB id Source Resolution
1ATP MUS MUSCULUS 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
ATP Valid Kd =  60.0 nM   launch gocavviewer-lite   507.181
C10 H16 N5 O13 P3
 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
PO3 Invalid            

2.2 A REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH MNATP AND A PEPTIDE INHIBITOR. ACTA CRYSTALLOGR.,SECT.D V. 49 362 1993

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90% Homology Family

The Class containing this family consists of a total of 5 families.
Leader:    2GU8
DISCOVERY OF 2-PYRIMIDYL-5-AMIDOTHIOPHENES AS
NOVEL AND POTENT INHIBITORS FOR AKT: SYNTHESIS
AND SAR STUDIES
PDB id Binding data Representative ligand
2GU8 ic50 = 0.1 nM 796
1ATP Kd = 60.0 nM ATP
1CDK   MYR
1FMO Ki = 2.3 nM ADN
1JBP   ADP
1L3R   AF3
1Q8T Kd = 17.5 uM Y27
1Q8U Kd = 1.1 uM H52
1Q8W Kd = 5.7 uM M77
1RDQ   ADP
1STC Ki = 8.0 nM STO
1SVE ic50 = 5.0 nM I01
1SVG ic50 = 2.0 nM I04
1SVH ic50 = 360.0 nM I08
1XH4 Kd = 34.0 nM R69
1XH5 Kd = 3400.0 nM R68
1XH6 Kd = 48.0 nM R94
1XH7 Kd = 150.0 nM R96
1XH8 ic50 = 1700.0 nM R55
1XH9 Kd = 17.0 nM R69
1XHA   R68
1YDR Ki = 3.0 uM IQP
1YDS Ki = 1.2 uM IQS
1YDT Ki = 48.0 nM IQB
2C1A ic50 = 0.17 uM I5S
2C1B ic50 = 0.4 uM CQP
2ERZ Ki = 2.2 uM HFS
2F7E ic50 = 1.3 nM 2EA
2F7X ic50 = 14.0 nM 4EA
2GNF Ki = 6.0 uM Y27
2GNH Ki = 149.0 nM H52
2GNI Ki = 2280.0 nM M77
2GNJ Ki = 6.0 uM Y27
2JDS ic50 = 27.0 nM L20
2JDT   I5S
2JDV   L20
2OH0 ic50 = 18.0 nM 2PY
2OJF ic50 = 15.0 nM 4PY
2QUR   ADP
2UVX   GVH
2UVY   GVI
2UVZ   GVJ
2UW0   GVK
2UW3 ic50 = 80.0 uM GVG
2UW4 ic50 = 5.2 uM L15
2UW5 ic50 = 34.0 nM GVN
2UW6 ic50 = 0.28 uM GVO
2UW7 ic50 = 18.0 nM GVP
2UW8 ic50 = 77.0 uM GVQ
2UZT ic50 = 14.0 nM SS3
2UZU ic50 = 0.16 nM L20
2UZV ic50 > 3.0 uM SS5
2UZW Kd = 5.0 nM SS4
2VNW   M01
2VNY   M02
2VO0   M03
2VO3   M04
2VO6   M05
2VO7 ic50 = 15.0 nM M05
3AMA Ki = 0.297 uM SKE
3AMB Ki = 0.66 uM VX6
3DND   LL2
3DNE   LL1
3E8C   G96
3E8E   G98
3FJQ   ATP
3L9L ic50 = 167.0 nM L9L
3L9M   L9M
3L9N   L9N
3MVJ ic50 = 3200.0 nM XFE
3OW3 ic50 = 742.0 nM SMY