| 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 | CLK1 | CLK1_HUMAN | 5J1WA | P49759 | 148 | 483 | 484.0 | 6FB:60506 | Type1 | Active | DFGin | 7.1724 | 14.3259 | BLAminus | -121.81, 173.7 | 71.87, 86.58 | -105.02, 20.94 | 296.61, 84.3 | -77.49, -14.22 | in-in | in | 8.5488 | Saltbr-in | 2.5641 | HRD-in | -71.53, -50.92 | 81.49, -14.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9036 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.47, 167.51 | APE9-dihe-na | 77.02, 140.17 | APE8-dihe-in | -56.28, 137.97 | APE8-rot-in | 295.84 | APE67-dihe-in | -62.06, -22.4 | -61.94, -35.28 | APE12-dist-in | 13.6052 | APE11-dist-in | 11.4365 | APE10-dist-in | 7.2516 | APE9-dist-in | 3.0421 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | A | 339.0 | 336.0 | 0 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| CMGC | CLK1 | CLK1_HUMAN | 5J1WB | P49759 | 148 | 482 | 484.0 | 6FB:60503 | Type1 | Active | DFGin | 7.2901 | 14.2646 | BLAminus | -120.99, 173.46 | 72.42, 86.12 | -105.34, 21.92 | 296.07, 87.01 | -75.02, -15.34 | in-in | in | 8.5851 | Saltbr-in | 2.5852 | HRD-in | -69.32, -50.91 | 80.3, -14.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8972 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.41, 167.18 | APE9-dihe-na | 77.9, 139.82 | APE8-dihe-in | -54.28, 138.17 | APE8-rot-in | 296.7 | APE67-dihe-in | -62.44, -21.37 | -62.69, -34.82 | APE12-dist-in | 13.6477 | APE11-dist-in | 11.342 | APE10-dist-in | 7.196 | APE9-dist-in | 3.035 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | B | 339.0 | 335.0 | 0 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| CMGC | CLK1 | CLK1_HUMAN | 5J1WC | P49759 | 148 | 483 | 484.0 | 6FB:60505,6FB:60506 | Type1,Allosteric | Inactive | DFGin | 7.1425 | 14.2862 | BLAminus | -122.18, 173.27 | 71.94, 86.76 | -106.83, 22.04 | 296.04, 87.14 | -77.19, -12.48 | in-in | in | 8.5036 | Saltbr-in | 2.5683 | HRD-in | -74.28, -51.47 | 84.87, -18.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8804 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oioo | APE10-dihe-na | -128.25, 150.31 | APE9-dihe-na | -78.45, -169.37 | APE8-dihe-in | -56.02, 117.75 | APE8-rot-in | 301.81 | APE67-dihe-out | -74.26, -11.87 | -128.54, 128.96 | APE12-dist-out | 14.7541 | APE11-dist-in | 12.3342 | APE10-dist-out | 9.2098 | APE9-dist-out | 8.676 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | C | 339.0 | 314.0 | 22 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| 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 | CLK1 | CLK1_HUMAN | 5J1WA | P49759 | 148 | 483 | 484.0 | 6FB:60506 | Type1 | Active | DFGin | 7.1724 | 14.3259 | BLAminus | -121.81, 173.7 | 71.87, 86.58 | -105.02, 20.94 | 296.61, 84.3 | -77.49, -14.22 | in-in | in | 8.5488 | Saltbr-in | 2.5641 | HRD-in | -71.53, -50.92 | 81.49, -14.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9036 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.47, 167.51 | APE9-dihe-na | 77.02, 140.17 | APE8-dihe-in | -56.28, 137.97 | APE8-rot-in | 295.84 | APE67-dihe-in | -62.06, -22.4 | -61.94, -35.28 | APE12-dist-in | 13.6052 | APE11-dist-in | 11.4365 | APE10-dist-in | 7.2516 | APE9-dist-in | 3.0421 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | A | 339.0 | 336.0 | 0 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | Homo sapiens | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| CMGC | CLK1 | CLK1_HUMAN | 5J1WB | P49759 | 148 | 482 | 484.0 | 6FB:60503 | Type1 | Active | DFGin | 7.2901 | 14.2646 | BLAminus | -120.99, 173.46 | 72.42, 86.12 | -105.34, 21.92 | 296.07, 87.01 | -75.02, -15.34 | in-in | in | 8.5851 | Saltbr-in | 2.5852 | HRD-in | -69.32, -50.91 | 80.3, -14.73 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8972 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.41, 167.18 | APE9-dihe-na | 77.9, 139.82 | APE8-dihe-in | -54.28, 138.17 | APE8-rot-in | 296.7 | APE67-dihe-in | -62.44, -21.37 | -62.69, -34.82 | APE12-dist-in | 13.6477 | APE11-dist-in | 11.342 | APE10-dist-in | 7.196 | APE9-dist-in | 3.035 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | B | 339.0 | 335.0 | 0 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | Homo sapiens | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| CMGC | CLK1 | CLK1_HUMAN | 5J1WC | P49759 | 148 | 483 | 484.0 | 6FB:60505,6FB:60506 | Type1,Allosteric | Inactive | DFGin | 7.1425 | 14.2862 | BLAminus | -122.18, 173.27 | 71.94, 86.76 | -106.83, 22.04 | 296.04, 87.14 | -77.19, -12.48 | in-in | in | 8.5036 | Saltbr-in | 2.5683 | HRD-in | -74.28, -51.47 | 84.87, -18.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8804 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oioo | APE10-dihe-na | -128.25, 150.31 | APE9-dihe-na | -78.45, -169.37 | APE8-dihe-in | -56.02, 117.75 | APE8-rot-in | 301.81 | APE67-dihe-out | -74.26, -11.87 | -128.54, 128.96 | APE12-dist-out | 14.7541 | APE11-dist-in | 12.3342 | APE10-dist-out | 9.2098 | APE9-dist-out | 8.676 | None | None | None | XRAY | 2.42 | 0.191 | 0.228 | C | 339.0 | 314.0 | 22 | 25 | 25 | 0 | [[161, 477]] | 1.0 | 5j1w | Homo sapiens | CMGC_CLK1_HUMAN | CMGC | 2.5e-93 | 318.5 | 1.0 | 301.0 | 301.0 | 324 | 325 | 326 | 328 | 330 | 191 | 206 | 210 | 285 | 287 | 286 | 288.0 | 361 | 349 | 344 | 343 | 342 | 341 | 340 | 339 | 338 | 242 | Dual specificity protein kinase CLK1 |
| 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 |
|---|