| 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 | 6S11A | Q13627 | 134 | 480 | 763.0 | KQE:502 | Type1 | Active | DFGin | 7.296 | 14.892 | BLAminus | -121.55, 164.1 | 72.87, 91.72 | -105.74, 27.5 | 285.62, 74.33 | -70.05, -23.97 | in-in | in | 8.616 | Saltbr-in | 2.709 | HRD-in | -66.61, -45.0 | 72.81, 4.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.804 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.87, 171.94 | APE9-dihe-na | 69.56, 141.33 | APE8-dihe-in | -63.19, 142.1 | APE8-rot-in | 291.08 | APE67-dihe-in | -52.63, -29.59 | -57.6, -48.58 | APE12-dist-in | 13.815 | APE11-dist-in | 12.051 | APE10-dist-in | 7.349 | APE9-dist-in | 3.108 | None | PTR321 | PTR321 | XRAY | 2.445 | 0.173 | 0.21 | A | 361 | 344 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6s11 | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-91 | 310.2 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 6S11B | Q13627 | 136 | 480 | 763.0 | KQE:501 | Type1 | None | DFGin | 7.321 | 14.74 | BLAminus | -122.66, 164.68 | 70.6, 90.6 | -105.94, 27.83 | 286.74, 77.35 | -71.95, -23.72 | in-in | in | 8.564 | Saltbr-in | 3.103 | HRD-in | -69.08, -43.23 | 70.93, 5.16 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.871 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -126.36, 176.02 | APE9-dihe-na | 69.06, 141.8 | APE8-dihe-in | -64.1, 141.34 | APE8-rot-in | 291.06 | APE67-dihe-in | -52.52, -31.33 | -58.27, -46.65 | APE12-dist-none | 999.0 | APE11-dist-in | 11.465 | APE10-dist-in | 7.262 | APE9-dist-in | 3.159 | None | PTR321 | PTR321 | XRAY | 2.445 | 0.173 | 0.21 | B | 361 | 330 | 15 | 25 | 22 | 3 | [[159, 479]] | 1.0 | 6s11 | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-91 | 310.2 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 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 | 6S11A | Q13627 | 134 | 480 | 763.0 | KQE:502 | Type1 | Active | DFGin | 7.296 | 14.892 | BLAminus | -121.55, 164.1 | 72.87, 91.72 | -105.74, 27.5 | 285.62, 74.33 | -70.05, -23.97 | in-in | in | 8.616 | Saltbr-in | 2.709 | HRD-in | -66.61, -45.0 | 72.81, 4.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.804 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.87, 171.94 | APE9-dihe-na | 69.56, 141.33 | APE8-dihe-in | -63.19, 142.1 | APE8-rot-in | 291.08 | APE67-dihe-in | -52.63, -29.59 | -57.6, -48.58 | APE12-dist-in | 13.815 | APE11-dist-in | 12.051 | APE10-dist-in | 7.349 | APE9-dist-in | 3.108 | None | PTR321 | PTR321 | XRAY | 2.445 | 0.173 | 0.21 | A | 361 | 344 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 6s11 | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-91 | 310.2 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 343 | 331 | 326 | 325 | 324 | 323 | 322 | 321 | 320 | 239 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
| CMGC | DYRK1A | DYR1A_HUMAN | 6S11B | Q13627 | 136 | 480 | 763.0 | KQE:501 | Type1 | None | DFGin | 7.321 | 14.74 | BLAminus | -122.66, 164.68 | 70.6, 90.6 | -105.94, 27.83 | 286.74, 77.35 | -71.95, -23.72 | in-in | in | 8.564 | Saltbr-in | 3.103 | HRD-in | -69.08, -43.23 | 70.93, 5.16 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.871 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -126.36, 176.02 | APE9-dihe-na | 69.06, 141.8 | APE8-dihe-in | -64.1, 141.34 | APE8-rot-in | 291.06 | APE67-dihe-in | -52.52, -31.33 | -58.27, -46.65 | APE12-dist-none | 999.0 | APE11-dist-in | 11.465 | APE10-dist-in | 7.262 | APE9-dist-in | 3.159 | None | PTR321 | PTR321 | XRAY | 2.445 | 0.173 | 0.21 | B | 361 | 330 | 15 | 25 | 22 | 3 | [[159, 479]] | 1.0 | 6s11 | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 8.4e-91 | 310.2 | 1 | 301 | 301 | 306 | 307 | 308 | 310 | 312 | 188 | 203 | 207 | 284 | 286 | 285 | 287 | 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 |
|---|