| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUA | Q00532 | 2 | 291 | 357.0 | D15:500 | Type1 | None | DFGin | 6.9255 | 15.2252 | BLAminus | -125.36, -173.19 | 61.0, 84.36 | -106.79, 0.32 | 274.19, 82.71 | -54.94, -33.89 | in-in | in | 8.329 | Saltbr-in | 2.6679 | HRD-in | -62.63, -48.4 | 73.42, -8.74 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8062 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.22 | APE8-rot-in | 301.17 | APE67-dihe-in | -58.09, -27.23 | -56.92, -32.3 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | A | 311.0 | 277.0 | 13 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUB | Q00532 | 3 | 292 | 357.0 | D15:500 | Type1 | None | DFGin | 6.9112 | 15.2416 | BLAminus | -123.13, -174.59 | 61.67, 77.11 | -99.83, 8.36 | 278.04, 80.77 | -62.15, -31.07 | in-in | in | 8.3123 | Saltbr-in | 2.6679 | HRD-in | -65.94, -47.41 | 70.79, -7.65 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7623 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 133.96 | APE8-rot-in | 300.0 | APE67-dihe-in | -56.83, -27.96 | -64.83, -28.69 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | B | 311.0 | 276.0 | 14 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUC | Q00532 | 2 | 291 | 357.0 | D15:500 | Type1 | None | DFGin | 7.0756 | 15.0761 | BLAminus | -126.2, -170.17 | 57.04, 81.0 | -105.59, 6.66 | 281.53, 85.88 | -54.99, -37.13 | in-in | in | 8.2833 | Saltbr-in | 2.658 | HRD-in | -56.25, -49.02 | 74.36, -3.78 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7909 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 127.06 | APE8-rot-in | 293.41 | APE67-dihe-in | -52.47, -36.63 | -43.96, -43.49 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | C | 311.0 | 278.0 | 12 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUA | Q00532 | 2 | 291 | 357.0 | D15:500 | Type1 | None | DFGin | 6.9255 | 15.2252 | BLAminus | -125.36, -173.19 | 61.0, 84.36 | -106.79, 0.32 | 274.19, 82.71 | -54.94, -33.89 | in-in | in | 8.329 | Saltbr-in | 2.6679 | HRD-in | -62.63, -48.4 | 73.42, -8.74 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8062 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 138.22 | APE8-rot-in | 301.17 | APE67-dihe-in | -58.09, -27.23 | -56.92, -32.3 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | A | 311.0 | 277.0 | 13 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | Homo sapiens | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUB | Q00532 | 3 | 292 | 357.0 | D15:500 | Type1 | None | DFGin | 6.9112 | 15.2416 | BLAminus | -123.13, -174.59 | 61.67, 77.11 | -99.83, 8.36 | 278.04, 80.77 | -62.15, -31.07 | in-in | in | 8.3123 | Saltbr-in | 2.6679 | HRD-in | -65.94, -47.41 | 70.79, -7.65 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7623 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 133.96 | APE8-rot-in | 300.0 | APE67-dihe-in | -56.83, -27.96 | -64.83, -28.69 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | B | 311.0 | 276.0 | 14 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | Homo sapiens | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| CMGC | CDKL1 | CDKL1_HUMAN | 4AGUC | Q00532 | 2 | 291 | 357.0 | D15:500 | Type1 | None | DFGin | 7.0756 | 15.0761 | BLAminus | -126.2, -170.17 | 57.04, 81.0 | -105.59, 6.66 | 281.53, 85.88 | -54.99, -37.13 | in-in | in | 8.2833 | Saltbr-in | 2.658 | HRD-in | -56.25, -49.02 | 74.36, -3.78 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7909 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 127.06 | APE8-rot-in | 293.41 | APE67-dihe-in | -52.47, -36.63 | -43.96, -43.49 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T159D,Y161E | None | None | XRAY | 2.4 | 0.189 | 0.226 | C | 311.0 | 278.0 | 12 | 28 | 16 | 12 | [[4, 287]] | 1.0 | 4agu | Homo sapiens | CMGC_CDKL1_HUMAN | CMGC | 2.9e-80 | 275.7 | 1.0 | 301.0 | 301.0 | 143 | 144 | 145 | 147 | 149 | 33 | 51 | 55 | 123 | 125 | 124 | 126.0 | 184 | 171 | 166 | 165 | 164 | 163 | 162 | 161 | 160 | 81 | Cyclin-dependent kinase-like 1 |
| 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 |
|---|