| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | PRKACA | KAPCA_HUMAN | 4AE9A | P17612 | 13 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.55 | 16.001 | ABAminus | -108.08, 1.25 | -143.04, 135.02 | -120.31, 26.17 | 277.62, 67.12 | -50.31, -36.29 | out-out | out | 10.2017 | Saltbr-out | 4.9285 | HRD-in | -78.87, -60.3 | 78.37, 10.3 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7466 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.01, 163.39 | APE9-dihe-na | 112.23, 171.54 | APE8-dihe-in | -84.52, 127.75 | APE8-rot-in | 289.6 | APE67-dihe-in | -56.88, -27.79 | -43.6, -44.81 | APE12-dist-in | 8.2704 | APE11-dist-in | 11.576 | APE10-dist-in | 6.0269 | APE9-dist-in | 4.1577 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.3 | 0.201 | 0.264 | A | 343.0 | 324.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 4ae9 | AGC_PRKACA_HUMAN | AGC | 4.2e-95 | 323.8 | 1.0 | 260.0 | 260.0 | 184 | 185 | 186 | 188 | 190 | 73 | 92 | 96 | 164 | 166 | 165 | 167.0 | 221 | 209 | 204 | 203 | 202 | 201 | 200 | 199 | 198 | 122 | cAMP-dependent protein kinase catalytic subunit alpha |
| AGC | PRKACA | KAPCA_HUMAN | 4AE9B | P17612 | 16 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7487 | 16.1613 | ABAminus | -114.92, -7.43 | -130.92, 125.97 | -130.48, 16.95 | 295.44, 81.38 | -52.61, -39.79 | out-out | out | 10.6681 | Saltbr-out | 4.4397 | HRD-in | -74.27, -49.34 | 44.92, 35.44 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6317 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -139.93, 157.79 | APE9-dihe-na | 109.15, 156.62 | APE8-dihe-in | -68.62, 140.66 | APE8-rot-out | 10.98 | APE67-dihe-in | -51.62, -27.57 | -42.37, -51.96 | APE12-dist-in | 8.5473 | APE11-dist-in | 11.4951 | APE10-dist-in | 5.9265 | APE9-dist-in | 4.357 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.3 | 0.201 | 0.264 | B | 343.0 | 324.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 4ae9 | AGC_PRKACA_HUMAN | AGC | 4.2e-95 | 323.8 | 1.0 | 260.0 | 260.0 | 184 | 185 | 186 | 188 | 190 | 73 | 92 | 96 | 164 | 166 | 165 | 167.0 | 221 | 209 | 204 | 203 | 202 | 201 | 200 | 199 | 198 | 122 | cAMP-dependent protein kinase catalytic subunit alpha |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | PRKACA | KAPCA_HUMAN | 4AE9A | P17612 | 13 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.55 | 16.001 | ABAminus | -108.08, 1.25 | -143.04, 135.02 | -120.31, 26.17 | 277.62, 67.12 | -50.31, -36.29 | out-out | out | 10.2017 | Saltbr-out | 4.9285 | HRD-in | -78.87, -60.3 | 78.37, 10.3 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7466 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.01, 163.39 | APE9-dihe-na | 112.23, 171.54 | APE8-dihe-in | -84.52, 127.75 | APE8-rot-in | 289.6 | APE67-dihe-in | -56.88, -27.79 | -43.6, -44.81 | APE12-dist-in | 8.2704 | APE11-dist-in | 11.576 | APE10-dist-in | 6.0269 | APE9-dist-in | 4.1577 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.3 | 0.201 | 0.264 | A | 343.0 | 324.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 4ae9 | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 4.2e-95 | 323.8 | 1.0 | 260.0 | 260.0 | 184 | 185 | 186 | 188 | 190 | 73 | 92 | 96 | 164 | 166 | 165 | 167.0 | 221 | 209 | 204 | 203 | 202 | 201 | 200 | 199 | 198 | 122 | cAMP-dependent protein kinase catalytic subunit alpha |
| AGC | PRKACA | KAPCA_HUMAN | 4AE9B | P17612 | 16 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7487 | 16.1613 | ABAminus | -114.92, -7.43 | -130.92, 125.97 | -130.48, 16.95 | 295.44, 81.38 | -52.61, -39.79 | out-out | out | 10.6681 | Saltbr-out | 4.4397 | HRD-in | -74.27, -49.34 | 44.92, 35.44 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.6317 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -139.93, 157.79 | APE9-dihe-na | 109.15, 156.62 | APE8-dihe-in | -68.62, 140.66 | APE8-rot-out | 10.98 | APE67-dihe-in | -51.62, -27.57 | -42.37, -51.96 | APE12-dist-in | 8.5473 | APE11-dist-in | 11.4951 | APE10-dist-in | 5.9265 | APE9-dist-in | 4.357 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.3 | 0.201 | 0.264 | B | 343.0 | 324.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 4ae9 | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 4.2e-95 | 323.8 | 1.0 | 260.0 | 260.0 | 184 | 185 | 186 | 188 | 190 | 73 | 92 | 96 | 164 | 166 | 165 | 167.0 | 221 | 209 | 204 | 203 | 202 | 201 | 200 | 199 | 198 | 122 | cAMP-dependent protein kinase catalytic subunit alpha |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|