| 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 | 8FECA | P17612 | 3 | 351 | 351.0 | XU0:60501 | Type1 | Active | DFGin | 5.927 | 14.4607 | BLAminus | -126.38, -179.91 | 61.84, 90.42 | -102.64, 31.23 | 279.77, 62.7 | -61.22, -32.63 | in-in | in | 9.1545 | Saltbr-in | 3.1068 | HRD-in | -85.43, -52.43 | 73.91, 14.55 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8343 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.02, 165.29 | APE9-dihe-na | 137.47, -140.99 | APE8-dihe-in | -132.86, 123.05 | APE8-rot-in | 312.11 | APE67-dihe-in | -60.14, -32.0 | -40.12, -49.13 | APE12-dist-in | 8.2325 | APE11-dist-in | 11.5617 | APE10-dist-in | 5.9552 | APE9-dist-in | 3.6059 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.7 | 0.214 | 0.287 | A | 405.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 8fec | AGC_PRKACA_HUMAN | AGC | 7e-95 | 323.1 | 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 | 8FECB | P17612 | 3 | 351 | 351.0 | XU0:60501 | Type1 | Active | DFGin | 5.9754 | 14.6835 | BLAminus | -127.65, 171.34 | 68.29, 92.72 | -102.21, 27.6 | 281.7, 67.04 | -60.34, -31.82 | in-in | in | 8.8397 | Saltbr-in | 2.809 | HRD-in | -91.52, -53.88 | 75.61, 9.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9418 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.24, 178.4 | APE9-dihe-na | 115.87, -151.85 | APE8-dihe-in | -128.69, 124.59 | APE8-rot-in | 281.12 | APE67-dihe-in | -60.64, -38.43 | -38.43, -52.12 | APE12-dist-in | 8.1803 | APE11-dist-in | 11.3776 | APE10-dist-in | 5.7925 | APE9-dist-in | 3.4601 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.7 | 0.214 | 0.287 | B | 405.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 8fec | AGC_PRKACA_HUMAN | AGC | 7e-95 | 323.1 | 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 | 8FECA | P17612 | 3 | 351 | 351.0 | XU0:60501 | Type1 | Active | DFGin | 5.927 | 14.4607 | BLAminus | -126.38, -179.91 | 61.84, 90.42 | -102.64, 31.23 | 279.77, 62.7 | -61.22, -32.63 | in-in | in | 9.1545 | Saltbr-in | 3.1068 | HRD-in | -85.43, -52.43 | 73.91, 14.55 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8343 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.02, 165.29 | APE9-dihe-na | 137.47, -140.99 | APE8-dihe-in | -132.86, 123.05 | APE8-rot-in | 312.11 | APE67-dihe-in | -60.14, -32.0 | -40.12, -49.13 | APE12-dist-in | 8.2325 | APE11-dist-in | 11.5617 | APE10-dist-in | 5.9552 | APE9-dist-in | 3.6059 | None | SEP140,TPO198,SEP339 | SEP140,TPO198,SEP339 | XRAY | 2.7 | 0.214 | 0.287 | A | 405.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 8fec | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 7e-95 | 323.1 | 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 | 8FECB | P17612 | 3 | 351 | 351.0 | XU0:60501 | Type1 | Active | DFGin | 5.9754 | 14.6835 | BLAminus | -127.65, 171.34 | 68.29, 92.72 | -102.21, 27.6 | 281.7, 67.04 | -60.34, -31.82 | in-in | in | 8.8397 | Saltbr-in | 2.809 | HRD-in | -91.52, -53.88 | 75.61, 9.83 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9418 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.24, 178.4 | APE9-dihe-na | 115.87, -151.85 | APE8-dihe-in | -128.69, 124.59 | APE8-rot-in | 281.12 | APE67-dihe-in | -60.64, -38.43 | -38.43, -52.12 | APE12-dist-in | 8.1803 | APE11-dist-in | 11.3776 | APE10-dist-in | 5.7925 | APE9-dist-in | 3.4601 | None | TPO198,SEP339 | TPO198,SEP339 | XRAY | 2.7 | 0.214 | 0.287 | B | 405.0 | 336.0 | 0 | 25 | 25 | 0 | [[44, 298]] | 1.0 | 8fec | Homo sapiens | AGC_PRKACA_HUMAN | AGC | 7e-95 | 323.1 | 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 |
|---|