| 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 | DYRK1A | DYR1A_HUMAN | 7A4OA | Q13627 | 136 | 481 | 763.0 | ANP:501 | ATPlike | Active | DFGin | 7.4043 | 15.0335 | BLAminus | -121.6, 173.77 | 67.88, 73.96 | -92.34, 22.26 | 284.87, 82.1 | -70.26, -21.97 | in-in | in | 8.6845 | Saltbr-in | 2.7935 | HRD-in | -65.03, -49.19 | 79.83, -0.94 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7995 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.61, 174.39 | APE9-dihe-na | 70.74, 151.67 | APE8-dihe-in | -72.34, 134.57 | APE8-rot-in | 295.77 | APE67-dihe-in | -65.19, -24.46 | -43.45, -47.13 | APE12-dist-in | 10.0985 | APE11-dist-in | 12.2369 | APE10-dist-in | 7.723 | APE9-dist-in | 3.1562 | None | PTR321 | PTR321 | XRAY | 1.9 | 0.18 | 0.203 | A | 382.0 | 341.0 | 5 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7a4o | CMGC_DYRK1A_HUMAN | CMGC | 1e-90 | 310.0 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 7A4OB | Q13627 | 134 | 481 | 763.0 | ANP:501 | ATPlike | Inactive | DFGin | 7.2232 | 15.0468 | BLAminus | -127.4, 170.29 | 72.8, 80.08 | -93.18, 24.5 | 286.73, 76.67 | -71.46, -26.03 | in-in | in | 8.3652 | Saltbr-in | 2.7974 | HRD-in | -57.9, -49.71 | 71.19, 2.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8396 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -84.65, 164.16 | APE9-dihe-na | 75.07, 150.77 | APE8-dihe-in | -68.35, 138.34 | APE8-rot-in | 298.16 | APE67-dihe-in | -63.89, -24.74 | -46.52, -48.39 | APE12-dist-out | 14.0969 | APE11-dist-in | 11.8963 | APE10-dist-in | 7.5367 | APE9-dist-in | 3.0281 | None | PTR321 | PTR321 | XRAY | 1.9 | 0.18 | 0.203 | B | 382.0 | 341.0 | 7 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7a4o | CMGC_DYRK1A_HUMAN | CMGC | 1e-90 | 310.0 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| 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 | DYRK1A | DYR1A_HUMAN | 7A4OA | Q13627 | 136 | 481 | 763.0 | ANP:501 | ATPlike | Active | DFGin | 7.4043 | 15.0335 | BLAminus | -121.6, 173.77 | 67.88, 73.96 | -92.34, 22.26 | 284.87, 82.1 | -70.26, -21.97 | in-in | in | 8.6845 | Saltbr-in | 2.7935 | HRD-in | -65.03, -49.19 | 79.83, -0.94 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7995 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.61, 174.39 | APE9-dihe-na | 70.74, 151.67 | APE8-dihe-in | -72.34, 134.57 | APE8-rot-in | 295.77 | APE67-dihe-in | -65.19, -24.46 | -43.45, -47.13 | APE12-dist-in | 10.0985 | APE11-dist-in | 12.2369 | APE10-dist-in | 7.723 | APE9-dist-in | 3.1562 | None | PTR321 | PTR321 | XRAY | 1.9 | 0.18 | 0.203 | A | 382.0 | 341.0 | 5 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7a4o | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 1e-90 | 310.0 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 7A4OB | Q13627 | 134 | 481 | 763.0 | ANP:501 | ATPlike | Inactive | DFGin | 7.2232 | 15.0468 | BLAminus | -127.4, 170.29 | 72.8, 80.08 | -93.18, 24.5 | 286.73, 76.67 | -71.46, -26.03 | in-in | in | 8.3652 | Saltbr-in | 2.7974 | HRD-in | -57.9, -49.71 | 71.19, 2.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8396 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -84.65, 164.16 | APE9-dihe-na | 75.07, 150.77 | APE8-dihe-in | -68.35, 138.34 | APE8-rot-in | 298.16 | APE67-dihe-in | -63.89, -24.74 | -46.52, -48.39 | APE12-dist-out | 14.0969 | APE11-dist-in | 11.8963 | APE10-dist-in | 7.5367 | APE9-dist-in | 3.0281 | None | PTR321 | PTR321 | XRAY | 1.9 | 0.18 | 0.203 | B | 382.0 | 341.0 | 7 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7a4o | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 1e-90 | 310.0 | 1.0 | 301.0 | 301.0 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287.0 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| 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 |
|---|