| 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 | 3MVJB | P17612 | 16 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6749 | 15.0725 | BLAminus | -107.29, 175.17 | 69.85, 103.13 | -126.62, 31.7 | 289.12, 86.96 | -68.94, -36.62 | in-out | in | 9.8619 | Saltbr-out | 5.1808 | HRD-in | -72.7, -45.04 | 65.83, 8.62 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6815 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.22, 164.94 | APE9-dihe-na | 113.67, -166.87 | APE8-dihe-in | -95.86, 130.98 | APE8-rot-in | 290.81 | APE67-dihe-in | -63.62, -17.9 | -44.08, -47.61 | APE12-dist-in | 8.4504 | APE11-dist-in | 11.5319 | APE10-dist-in | 6.2728 | APE9-dist-in | 4.219 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | B | 371.0 | 322.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 | 3MVJA | P17612 | 16 | 351 | 351.0 | XFE:60351 | Type1 | Active | DFGin | 6.1884 | 13.5821 | BLAminus | -115.88, 169.36 | 72.34, 84.05 | -100.4, 21.07 | 284.54, 72.78 | -48.33, -32.34 | in-in | in | 8.6933 | Saltbr-in | 2.9429 | HRD-in | -94.45, -57.98 | 81.77, 7.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0047 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.5, 165.11 | APE9-dihe-na | 130.23, -153.23 | APE8-dihe-in | -130.91, 127.14 | APE8-rot-in | 305.92 | APE67-dihe-in | -54.4, -32.7 | -46.27, -53.24 | APE12-dist-in | 8.1645 | APE11-dist-in | 11.4405 | APE10-dist-in | 5.835 | APE9-dist-in | 3.6782 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | A | 371.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 | 3MVJE | P17612 | 16 | 351 | 351.0 | XFE:60351 | Type1 | Active | DFGin | 6.0097 | 13.9041 | BLAminus | -120.77, 173.49 | 75.79, 91.53 | -105.05, 22.03 | 286.9, 73.04 | -48.68, -45.44 | in-in | in | 8.7857 | Saltbr-in | 2.5037 | HRD-in | -85.62, -59.75 | 66.22, 15.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9875 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.99, 156.89 | APE9-dihe-na | 143.78, -161.15 | APE8-dihe-in | -124.44, 132.79 | APE8-rot-in | 305.29 | APE67-dihe-in | -69.91, -25.33 | -54.9, -34.25 | APE12-dist-in | 8.1481 | APE11-dist-in | 11.447 | APE10-dist-in | 5.8027 | APE9-dist-in | 3.8015 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | E | 371.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 | 3MVJB | P17612 | 16 | 351 | 351.0 | No_ligand | No_ligand | Inactive | DFGin | 6.6749 | 15.0725 | BLAminus | -107.29, 175.17 | 69.85, 103.13 | -126.62, 31.7 | 289.12, 86.96 | -68.94, -36.62 | in-out | in | 9.8619 | Saltbr-out | 5.1808 | HRD-in | -72.7, -45.04 | 65.83, 8.62 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6815 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.22, 164.94 | APE9-dihe-na | 113.67, -166.87 | APE8-dihe-in | -95.86, 130.98 | APE8-rot-in | 290.81 | APE67-dihe-in | -63.62, -17.9 | -44.08, -47.61 | APE12-dist-in | 8.4504 | APE11-dist-in | 11.5319 | APE10-dist-in | 6.2728 | APE9-dist-in | 4.219 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | B | 371.0 | 322.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 | 3MVJA | P17612 | 16 | 351 | 351.0 | XFE:60351 | Type1 | Active | DFGin | 6.1884 | 13.5821 | BLAminus | -115.88, 169.36 | 72.34, 84.05 | -100.4, 21.07 | 284.54, 72.78 | -48.33, -32.34 | in-in | in | 8.6933 | Saltbr-in | 2.9429 | HRD-in | -94.45, -57.98 | 81.77, 7.12 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0047 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -155.5, 165.11 | APE9-dihe-na | 130.23, -153.23 | APE8-dihe-in | -130.91, 127.14 | APE8-rot-in | 305.92 | APE67-dihe-in | -54.4, -32.7 | -46.27, -53.24 | APE12-dist-in | 8.1645 | APE11-dist-in | 11.4405 | APE10-dist-in | 5.835 | APE9-dist-in | 3.6782 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | A | 371.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 | 3MVJE | P17612 | 16 | 351 | 351.0 | XFE:60351 | Type1 | Active | DFGin | 6.0097 | 13.9041 | BLAminus | -120.77, 173.49 | 75.79, 91.53 | -105.05, 22.03 | 286.9, 73.04 | -48.68, -45.44 | in-in | in | 8.7857 | Saltbr-in | 2.5037 | HRD-in | -85.62, -59.75 | 66.22, 15.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9875 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.99, 156.89 | APE9-dihe-na | 143.78, -161.15 | APE8-dihe-in | -124.44, 132.79 | APE8-rot-in | 305.29 | APE67-dihe-in | -69.91, -25.33 | -54.9, -34.25 | APE12-dist-in | 8.1481 | APE11-dist-in | 11.447 | APE10-dist-in | 5.8027 | APE9-dist-in | 3.8015 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.49 | 0.217 | 0.304 | E | 371.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 3mvj | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 5.4e-95 | 323.5 | 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 |
|---|