| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CK1 | CSNK1A1 | KC1A_HUMAN | 6GZDA | P48729 | 9 | 305 | 337.0 | LCI:1018 | Type1 | Active | DFGin | 6.7019 | 14.844 | BLAminus | -131.55, 177.32 | 70.46, 86.44 | -102.55, 22.91 | 293.61, 98.06 | -62.66, -35.34 | in-in | in | 8.0957 | Saltbr-in | 3.1314 | HRD-in | -82.14, -48.34 | 69.83, 12.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.984 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.35, -32.42 | APE9-dihe-na | -87.44, -150.21 | APE8-dihe-in | -91.1, 131.82 | APE8-rot-in | 300.27 | APE67-dihe-in | -60.82, -38.86 | -68.26, -34.55 | APE12-dist-in | 11.6581 | APE11-dist-in | 11.9492 | APE10-dist-in | 6.2789 | APE9-dist-in | 3.6388 | None | None | None | XRAY | 2.28 | 0.177 | 0.221 | A | 374.0 | 297.0 | 0 | 35 | 35 | 0 | [[17, 283]] | 1.0 | 6gzd | CK1_CSNK1A1_HUMAN | CK1 | 6.2e-122 | 412.0 | 1.0 | 261.0 | 261.0 | 156 | 157 | 158 | 160 | 162 | 46 | 60 | 64 | 133 | 135 | 134 | 136.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 91 | Casein kinase I isoform alpha |
| CK1 | CSNK1D | KC1D_HUMAN | 6GZMA | P48730 | 5 | 295 | 415.0 | LCI:1004 | Type1 | Inactive | DFGin | 6.0917 | 14.8975 | BLAminus | -124.32, 164.33 | 79.67, 96.2 | -103.0, 21.73 | 291.46, 97.37 | -70.61, -17.22 | in-in | in | 7.9922 | Saltbr-in | 3.0668 | HRD-in | -80.76, -48.3 | 70.22, 11.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8923 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.57, -30.36 | APE9-dihe-na | -78.6, -147.37 | APE8-dihe-in | -125.32, 169.57 | APE8-rot-out | 191.56 | APE67-dihe-in | -53.28, -42.94 | -88.52, -29.67 | APE12-dist-in | 13.5572 | APE11-dist-in | 12.3198 | APE10-dist-in | 6.9691 | APE9-dist-in | 4.5573 | R13N | None | None | XRAY | 1.59 | 0.192 | 0.25 | A | 295.0 | 291.0 | 0 | 35 | 35 | 0 | [[9, 275]] | 1.0 | 6gzm | CK1_CSNK1D_HUMAN | CK1 | 3.8e-122 | 412.6 | 1.0 | 262.0 | 262.0 | 148 | 149 | 150 | 152 | 154 | 38 | 52 | 56 | 125 | 127 | 126 | 128.0 | 195 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 83 | Casein kinase I isoform delta |
| CK1 | CSNK1D | KC1D_HUMAN | 6GZMB | P48730 | 1 | 295 | 415.0 | LCI:1003 | Type1 | Active | DFGin | 6.0286 | 14.94 | BLAminus | -133.71, 166.42 | 75.71, 96.43 | -105.56, 19.57 | 289.87, 100.18 | -66.61, -26.34 | in-in | in | 8.2002 | Saltbr-in | 2.9776 | HRD-in | -81.5, -50.17 | 76.38, 3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8849 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.67, 144.06 | APE9-dihe-na | 111.45, -147.04 | APE8-dihe-in | -123.08, 119.05 | APE8-rot-in | 301.33 | APE67-dihe-in | -54.27, -40.27 | -57.58, -37.53 | APE12-dist-in | 11.5776 | APE11-dist-in | 12.5318 | APE10-dist-in | 6.4674 | APE9-dist-in | 3.9807 | R13N | None | None | XRAY | 1.59 | 0.192 | 0.25 | B | 295.0 | 295.0 | 0 | 35 | 35 | 0 | [[9, 275]] | 1.0 | 6gzm | CK1_CSNK1D_HUMAN | CK1 | 3.8e-122 | 412.6 | 1.0 | 262.0 | 262.0 | 148 | 149 | 150 | 152 | 154 | 38 | 52 | 56 | 125 | 127 | 126 | 128.0 | 195 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 83 | Casein kinase I isoform delta |
| CMGC | CDK9 | CDK9_HUMAN | 6GZHA | P50750 | 8 | 326 | 372.0 | LCI:2001 | Type1 | Active | DFGin | 6.9623 | 15.2757 | BLAminus | -143.64, 171.3 | 50.95, 83.68 | -93.37, 33.37 | 284.73, 74.17 | -64.71, -41.34 | in-in | in | 9.6453 | Saltbr-in | 2.8862 | HRD-in | -65.68, -54.2 | 64.63, 22.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7717 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.77, 163.06 | APE9-dihe-na | 70.11, 142.16 | APE8-dihe-in | -60.75, 137.92 | APE8-rot-in | 300.9 | APE67-dihe-in | -63.71, -23.63 | -48.56, -44.41 | APE12-dist-in | 12.8286 | APE11-dist-in | 10.3059 | APE10-dist-in | 6.5798 | APE9-dist-in | 3.427 | None | TPO186 | TPO186 | XRAY | 3.17 | 0.175 | 0.257 | A | 326.0 | 310.0 | 9 | 32 | 29 | 3 | [[19, 315]] | 1.0 | 6gzh | CMGC_CDK9_HUMAN | CMGC | 3.9e-80 | 275.2 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CK1 | CSNK1A1 | KC1A_HUMAN | 6GZDA | P48729 | 9 | 305 | 337.0 | LCI:1018 | Type1 | Active | DFGin | 6.7019 | 14.844 | BLAminus | -131.55, 177.32 | 70.46, 86.44 | -102.55, 22.91 | 293.61, 98.06 | -62.66, -35.34 | in-in | in | 8.0957 | Saltbr-in | 3.1314 | HRD-in | -82.14, -48.34 | 69.83, 12.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.984 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -88.35, -32.42 | APE9-dihe-na | -87.44, -150.21 | APE8-dihe-in | -91.1, 131.82 | APE8-rot-in | 300.27 | APE67-dihe-in | -60.82, -38.86 | -68.26, -34.55 | APE12-dist-in | 11.6581 | APE11-dist-in | 11.9492 | APE10-dist-in | 6.2789 | APE9-dist-in | 3.6388 | None | None | None | XRAY | 2.28 | 0.177 | 0.221 | A | 374.0 | 297.0 | 0 | 35 | 35 | 0 | [[17, 283]] | 1.0 | 6gzd | Homo sapiens | CK1_CSNK1A1_HUMAN | CK1 | 6.2e-122 | 412.0 | 1.0 | 261.0 | 261.0 | 156 | 157 | 158 | 160 | 162 | 46 | 60 | 64 | 133 | 135 | 134 | 136.0 | 203 | 191 | 186 | 185 | 184 | 183 | 182 | 181 | 180 | 91 | Casein kinase I isoform alpha |
| CK1 | CSNK1D | KC1D_HUMAN | 6GZMA | P48730 | 5 | 295 | 415.0 | LCI:1004 | Type1 | Inactive | DFGin | 6.0917 | 14.8975 | BLAminus | -124.32, 164.33 | 79.67, 96.2 | -103.0, 21.73 | 291.46, 97.37 | -70.61, -17.22 | in-in | in | 7.9922 | Saltbr-in | 3.0668 | HRD-in | -80.76, -48.3 | 70.22, 11.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8923 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -102.57, -30.36 | APE9-dihe-na | -78.6, -147.37 | APE8-dihe-in | -125.32, 169.57 | APE8-rot-out | 191.56 | APE67-dihe-in | -53.28, -42.94 | -88.52, -29.67 | APE12-dist-in | 13.5572 | APE11-dist-in | 12.3198 | APE10-dist-in | 6.9691 | APE9-dist-in | 4.5573 | R13N | None | None | XRAY | 1.59 | 0.192 | 0.25 | A | 295.0 | 291.0 | 0 | 35 | 35 | 0 | [[9, 275]] | 1.0 | 6gzm | Homo sapiens | CK1_CSNK1D_HUMAN | CK1 | 3.8e-122 | 412.6 | 1.0 | 262.0 | 262.0 | 148 | 149 | 150 | 152 | 154 | 38 | 52 | 56 | 125 | 127 | 126 | 128.0 | 195 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 83 | Casein kinase I isoform delta |
| CK1 | CSNK1D | KC1D_HUMAN | 6GZMB | P48730 | 1 | 295 | 415.0 | LCI:1003 | Type1 | Active | DFGin | 6.0286 | 14.94 | BLAminus | -133.71, 166.42 | 75.71, 96.43 | -105.56, 19.57 | 289.87, 100.18 | -66.61, -26.34 | in-in | in | 8.2002 | Saltbr-in | 2.9776 | HRD-in | -81.5, -50.17 | 76.38, 3.88 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8849 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -98.67, 144.06 | APE9-dihe-na | 111.45, -147.04 | APE8-dihe-in | -123.08, 119.05 | APE8-rot-in | 301.33 | APE67-dihe-in | -54.27, -40.27 | -57.58, -37.53 | APE12-dist-in | 11.5776 | APE11-dist-in | 12.5318 | APE10-dist-in | 6.4674 | APE9-dist-in | 3.9807 | R13N | None | None | XRAY | 1.59 | 0.192 | 0.25 | B | 295.0 | 295.0 | 0 | 35 | 35 | 0 | [[9, 275]] | 1.0 | 6gzm | Homo sapiens | CK1_CSNK1D_HUMAN | CK1 | 3.8e-122 | 412.6 | 1.0 | 262.0 | 262.0 | 148 | 149 | 150 | 152 | 154 | 38 | 52 | 56 | 125 | 127 | 126 | 128.0 | 195 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 83 | Casein kinase I isoform delta |
| CMGC | CDK9 | CDK9_HUMAN | 6GZHA | P50750 | 8 | 326 | 372.0 | LCI:2001 | Type1 | Active | DFGin | 6.9623 | 15.2757 | BLAminus | -143.64, 171.3 | 50.95, 83.68 | -93.37, 33.37 | 284.73, 74.17 | -64.71, -41.34 | in-in | in | 9.6453 | Saltbr-in | 2.8862 | HRD-in | -65.68, -54.2 | 64.63, 22.42 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7717 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.77, 163.06 | APE9-dihe-na | 70.11, 142.16 | APE8-dihe-in | -60.75, 137.92 | APE8-rot-in | 300.9 | APE67-dihe-in | -63.71, -23.63 | -48.56, -44.41 | APE12-dist-in | 12.8286 | APE11-dist-in | 10.3059 | APE10-dist-in | 6.5798 | APE9-dist-in | 3.427 | None | TPO186 | TPO186 | XRAY | 3.17 | 0.175 | 0.257 | A | 326.0 | 310.0 | 9 | 32 | 29 | 3 | [[19, 315]] | 1.0 | 6gzh | Homo sapiens | CMGC_CDK9_HUMAN | CMGC | 3.9e-80 | 275.2 | 1.0 | 301.0 | 301.0 | 166 | 167 | 168 | 170 | 172 | 48 | 66 | 70 | 146 | 148 | 147 | 149.0 | 211 | 198 | 193 | 192 | 191 | 190 | 189 | 188 | 187 | 104 | Cyclin-dependent kinase 9 |
| 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 |
|---|