| 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 | 9FPXA | Q13627 | 136 | 479 | 763.0 | CC9:501 | Type1 | Active | DFGin | 7.6395 | 14.5644 | BLAminus | -128.52, -179.85 | 64.32, 75.88 | -96.77, 27.03 | 289.01, 77.19 | -67.47, -43.12 | in-in | in | 8.672 | Saltbr-in | 2.7674 | HRD-in | -68.22, -36.96 | 69.23, -0.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8043 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.19, -47.98 | APE9-dihe-na | -95.05, 163.26 | APE8-dihe-in | -63.48, 147.02 | APE8-rot-in | 273.59 | APE67-dihe-in | -53.12, -33.33 | -58.72, -55.68 | APE12-dist-in | 12.0514 | APE11-dist-in | 10.9747 | APE10-dist-in | 7.1282 | APE9-dist-in | 3.3041 | None | PTR321 | PTR321 | XRAY | 2.69 | 0.242 | 0.278 | A | 371.0 | 337.0 | 7 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 9fpx | CMGC_DYRK1A_HUMAN | CMGC | 9.3e-91 | 310.1 | 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 | 9FPXB | Q13627 | 143 | 480 | 763.0 | CC9:501 | Type1 | Active | DFGin | 7.4914 | 14.3556 | BLAminus | -125.11, 175.25 | 58.16, 79.65 | -98.94, 25.54 | 294.99, 76.36 | -62.08, -51.42 | in-in | in | 8.96 | Saltbr-in | 3.0422 | HRD-in | -68.96, -37.47 | 65.08, 10.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.4304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -109.35, 179.3 | APE9-dihe-na | 69.75, 147.35 | APE8-dihe-in | -76.68, 135.47 | APE8-rot-in | 286.81 | APE67-dihe-in | -53.4, -25.2 | -48.11, -54.23 | APE12-dist-in | 12.1328 | APE11-dist-in | 11.3195 | APE10-dist-in | 7.011 | APE9-dist-in | 3.2151 | None | PTR321 | PTR321 | XRAY | 2.69 | 0.242 | 0.278 | B | 371.0 | 337.0 | 1 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 9fpx | CMGC_DYRK1A_HUMAN | CMGC | 9.3e-91 | 310.1 | 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 | 9FPXA | Q13627 | 136 | 479 | 763.0 | CC9:501 | Type1 | Active | DFGin | 7.6395 | 14.5644 | BLAminus | -128.52, -179.85 | 64.32, 75.88 | -96.77, 27.03 | 289.01, 77.19 | -67.47, -43.12 | in-in | in | 8.672 | Saltbr-in | 2.7674 | HRD-in | -68.22, -36.96 | 69.23, -0.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8043 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -90.19, -47.98 | APE9-dihe-na | -95.05, 163.26 | APE8-dihe-in | -63.48, 147.02 | APE8-rot-in | 273.59 | APE67-dihe-in | -53.12, -33.33 | -58.72, -55.68 | APE12-dist-in | 12.0514 | APE11-dist-in | 10.9747 | APE10-dist-in | 7.1282 | APE9-dist-in | 3.3041 | None | PTR321 | PTR321 | XRAY | 2.69 | 0.242 | 0.278 | A | 371.0 | 337.0 | 7 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 9fpx | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.3e-91 | 310.1 | 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 | 9FPXB | Q13627 | 143 | 480 | 763.0 | CC9:501 | Type1 | Active | DFGin | 7.4914 | 14.3556 | BLAminus | -125.11, 175.25 | 58.16, 79.65 | -98.94, 25.54 | 294.99, 76.36 | -62.08, -51.42 | in-in | in | 8.96 | Saltbr-in | 3.0422 | HRD-in | -68.96, -37.47 | 65.08, 10.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.4304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -109.35, 179.3 | APE9-dihe-na | 69.75, 147.35 | APE8-dihe-in | -76.68, 135.47 | APE8-rot-in | 286.81 | APE67-dihe-in | -53.4, -25.2 | -48.11, -54.23 | APE12-dist-in | 12.1328 | APE11-dist-in | 11.3195 | APE10-dist-in | 7.011 | APE9-dist-in | 3.2151 | None | PTR321 | PTR321 | XRAY | 2.69 | 0.242 | 0.278 | B | 371.0 | 337.0 | 1 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 9fpx | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.3e-91 | 310.1 | 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 |
|---|