| 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 | 7Z5NA | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.3321 | 14.774 | BLAminus | -125.89, 175.46 | 60.34, 76.96 | -90.72, 25.89 | 277.64, 75.8 | -70.85, -23.55 | in-in | in | 8.8674 | Saltbr-in | 2.6269 | HRD-in | -70.94, -45.64 | 77.0, -3.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8285 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.65, -35.2 | APE9-dihe-na | -94.12, 169.14 | APE8-dihe-in | -81.45, 135.48 | APE8-rot-in | 271.72 | APE67-dihe-in | -57.78, -21.85 | -42.59, -54.66 | APE12-dist-in | 12.6821 | APE11-dist-in | 11.0876 | APE10-dist-in | 6.8083 | APE9-dist-in | 3.3732 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | A | 370.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NB | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 6.9649 | 15.0305 | BLAminus | -121.53, 177.86 | 59.36, 74.88 | -91.0, 24.04 | 284.65, 79.36 | -69.42, -6.51 | in-in | in | 9.0717 | Saltbr-in | 2.9555 | HRD-in | -65.31, -40.72 | 67.91, 3.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.837 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.86, 165.14 | APE9-dihe-na | 70.53, 140.66 | APE8-dihe-in | -62.36, 145.8 | APE8-rot-in | 271.48 | APE67-dihe-in | -55.51, -24.3 | -55.08, -48.98 | APE12-dist-in | 12.6516 | APE11-dist-in | 11.2403 | APE10-dist-in | 7.3918 | APE9-dist-in | 3.1929 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | B | 370.0 | 343.0 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NC | Q13627 | 134 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1253 | 14.8454 | BLAminus | -127.45, -179.8 | 54.81, 79.63 | -96.7, 25.59 | 287.09, 79.21 | -71.97, -4.29 | in-in | in | 9.2181 | Saltbr-in | 2.9307 | HRD-in | -65.84, -47.16 | 77.48, 0.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9412 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.48, 175.3 | APE9-dihe-na | 70.69, 141.68 | APE8-dihe-in | -71.86, 144.08 | APE8-rot-in | 308.65 | APE67-dihe-in | -60.2, -32.88 | -49.5, -49.8 | APE12-dist-in | 13.0342 | APE11-dist-in | 11.5337 | APE10-dist-in | 7.1481 | APE9-dist-in | 3.1712 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | C | 370.0 | 344.0 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5ND | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1302 | 14.8905 | BLAminus | -128.02, 175.09 | 60.57, 71.33 | -86.84, 26.43 | 281.73, 81.64 | -75.1, -14.91 | in-in | in | 9.0813 | Saltbr-in | 2.6725 | HRD-in | -60.22, -35.39 | 67.3, 3.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8212 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.57, 171.93 | APE9-dihe-na | 66.97, 156.51 | APE8-dihe-in | -85.5, 144.03 | APE8-rot-in | 283.59 | APE67-dihe-in | -57.76, -18.64 | -49.19, -52.69 | APE12-dist-in | 12.3898 | APE11-dist-in | 10.7324 | APE10-dist-in | 7.1105 | APE9-dist-in | 3.0418 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | D | 370.0 | 338.0 | 8 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NE | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1875 | 14.8412 | BLAminus | -123.41, -179.95 | 58.6, 74.9 | -91.66, 28.87 | 284.52, 74.3 | -74.18, -15.86 | in-in | in | 8.9317 | Saltbr-in | 2.5987 | HRD-in | -66.53, -45.73 | 70.01, 6.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7293 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.5, 169.99 | APE9-dihe-na | 69.78, 136.41 | APE8-dihe-in | -57.94, 135.93 | APE8-rot-in | 298.8 | APE67-dihe-in | -52.87, -33.29 | -49.91, -51.82 | APE12-dist-in | 12.549 | APE11-dist-in | 11.3781 | APE10-dist-in | 7.3247 | APE9-dist-in | 3.1848 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | E | 370.0 | 340.0 | 6 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NF | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.2676 | 14.4998 | BLAminus | -134.01, 179.07 | 56.51, 71.89 | -90.03, 23.99 | 289.58, 70.49 | -65.64, -23.07 | in-in | in | 9.2238 | Saltbr-in | 2.8672 | HRD-in | -69.65, -42.1 | 76.58, -5.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9434 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.88, -177.32 | APE9-dihe-na | 69.42, 90.94 | APE8-dihe-in | -27.36, 123.58 | APE8-rot-in | 265.98 | APE67-dihe-in | -50.43, -31.45 | -50.21, -44.01 | APE12-dist-in | 13.0645 | APE11-dist-in | 11.2524 | APE10-dist-in | 6.8459 | APE9-dist-in | 3.1713 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | F | 370.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NG | Q13627 | 137 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.3439 | 14.7808 | BLAminus | -131.27, 177.34 | 58.91, 64.55 | -81.55, 37.12 | 289.02, 78.81 | -81.79, -16.85 | in-in | in | 8.9786 | Saltbr-in | 2.6293 | HRD-in | -65.23, -49.26 | 77.2, 4.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.89, 64.11 | APE9-dihe-na | -161.3, 162.4 | APE8-dihe-in | -70.8, 130.74 | APE8-rot-in | 279.54 | APE67-dihe-in | -57.11, -25.99 | -52.9, -46.96 | APE12-dist-in | 12.7122 | APE11-dist-in | 11.5438 | APE10-dist-in | 6.7588 | APE9-dist-in | 3.4177 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | G | 370.0 | 333.0 | 11 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NH | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | None | DFGin | 6.6792 | 14.8469 | BLAminus | -128.66, -179.58 | 53.82, 77.25 | -93.05, 20.83 | 280.85, 75.88 | -63.97, -13.6 | in-in | in | 9.0745 | Saltbr-in | 3.0013 | HRD-in | -63.15, -47.83 | 74.92, 6.9 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7985 | ActLoopCT-none | nonTYR | APEdihe_aaini | APEdist_niii | APE10-dihe-na | -156.21, 166.85 | APE9-dihe-na | 64.29, 161.67 | APE8-dihe-in | -89.72, 140.84 | APE8-rot-none | 999.0 | APE67-dihe-in | -54.39, -32.97 | -48.02, -56.25 | APE12-dist-none | 999.0 | APE11-dist-in | 10.614 | APE10-dist-in | 7.7666 | APE9-dist-in | 3.2077 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | H | 370.0 | 307.0 | 39 | 25 | 21 | 4 | [[159, 479]] | 1.0 | 7z5n | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NA | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.3321 | 14.774 | BLAminus | -125.89, 175.46 | 60.34, 76.96 | -90.72, 25.89 | 277.64, 75.8 | -70.85, -23.55 | in-in | in | 8.8674 | Saltbr-in | 2.6269 | HRD-in | -70.94, -45.64 | 77.0, -3.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8285 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.65, -35.2 | APE9-dihe-na | -94.12, 169.14 | APE8-dihe-in | -81.45, 135.48 | APE8-rot-in | 271.72 | APE67-dihe-in | -57.78, -21.85 | -42.59, -54.66 | APE12-dist-in | 12.6821 | APE11-dist-in | 11.0876 | APE10-dist-in | 6.8083 | APE9-dist-in | 3.3732 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | A | 370.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NB | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 6.9649 | 15.0305 | BLAminus | -121.53, 177.86 | 59.36, 74.88 | -91.0, 24.04 | 284.65, 79.36 | -69.42, -6.51 | in-in | in | 9.0717 | Saltbr-in | 2.9555 | HRD-in | -65.31, -40.72 | 67.91, 3.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.837 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.86, 165.14 | APE9-dihe-na | 70.53, 140.66 | APE8-dihe-in | -62.36, 145.8 | APE8-rot-in | 271.48 | APE67-dihe-in | -55.51, -24.3 | -55.08, -48.98 | APE12-dist-in | 12.6516 | APE11-dist-in | 11.2403 | APE10-dist-in | 7.3918 | APE9-dist-in | 3.1929 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | B | 370.0 | 343.0 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NC | Q13627 | 134 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1253 | 14.8454 | BLAminus | -127.45, -179.8 | 54.81, 79.63 | -96.7, 25.59 | 287.09, 79.21 | -71.97, -4.29 | in-in | in | 9.2181 | Saltbr-in | 2.9307 | HRD-in | -65.84, -47.16 | 77.48, 0.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9412 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.48, 175.3 | APE9-dihe-na | 70.69, 141.68 | APE8-dihe-in | -71.86, 144.08 | APE8-rot-in | 308.65 | APE67-dihe-in | -60.2, -32.88 | -49.5, -49.8 | APE12-dist-in | 13.0342 | APE11-dist-in | 11.5337 | APE10-dist-in | 7.1481 | APE9-dist-in | 3.1712 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | C | 370.0 | 344.0 | 3 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5ND | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1302 | 14.8905 | BLAminus | -128.02, 175.09 | 60.57, 71.33 | -86.84, 26.43 | 281.73, 81.64 | -75.1, -14.91 | in-in | in | 9.0813 | Saltbr-in | 2.6725 | HRD-in | -60.22, -35.39 | 67.3, 3.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8212 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -92.57, 171.93 | APE9-dihe-na | 66.97, 156.51 | APE8-dihe-in | -85.5, 144.03 | APE8-rot-in | 283.59 | APE67-dihe-in | -57.76, -18.64 | -49.19, -52.69 | APE12-dist-in | 12.3898 | APE11-dist-in | 10.7324 | APE10-dist-in | 7.1105 | APE9-dist-in | 3.0418 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | D | 370.0 | 338.0 | 8 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NE | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.1875 | 14.8412 | BLAminus | -123.41, -179.95 | 58.6, 74.9 | -91.66, 28.87 | 284.52, 74.3 | -74.18, -15.86 | in-in | in | 8.9317 | Saltbr-in | 2.5987 | HRD-in | -66.53, -45.73 | 70.01, 6.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7293 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.5, 169.99 | APE9-dihe-na | 69.78, 136.41 | APE8-dihe-in | -57.94, 135.93 | APE8-rot-in | 298.8 | APE67-dihe-in | -52.87, -33.29 | -49.91, -51.82 | APE12-dist-in | 12.549 | APE11-dist-in | 11.3781 | APE10-dist-in | 7.3247 | APE9-dist-in | 3.1848 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | E | 370.0 | 340.0 | 6 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NF | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.2676 | 14.4998 | BLAminus | -134.01, 179.07 | 56.51, 71.89 | -90.03, 23.99 | 289.58, 70.49 | -65.64, -23.07 | in-in | in | 9.2238 | Saltbr-in | 2.8672 | HRD-in | -69.65, -42.1 | 76.58, -5.06 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9434 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.88, -177.32 | APE9-dihe-na | 69.42, 90.94 | APE8-dihe-in | -27.36, 123.58 | APE8-rot-in | 265.98 | APE67-dihe-in | -50.43, -31.45 | -50.21, -44.01 | APE12-dist-in | 13.0645 | APE11-dist-in | 11.2524 | APE10-dist-in | 6.8459 | APE9-dist-in | 3.1713 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | F | 370.0 | 346.0 | 0 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NG | Q13627 | 137 | 480 | 763.0 | 3NG:501 | Type1 | Active | DFGin | 7.3439 | 14.7808 | BLAminus | -131.27, 177.34 | 58.91, 64.55 | -81.55, 37.12 | 289.02, 78.81 | -81.79, -16.85 | in-in | in | 8.9786 | Saltbr-in | 2.6293 | HRD-in | -65.23, -49.26 | 77.2, 4.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7185 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.89, 64.11 | APE9-dihe-na | -161.3, 162.4 | APE8-dihe-in | -70.8, 130.74 | APE8-rot-in | 279.54 | APE67-dihe-in | -57.11, -25.99 | -52.9, -46.96 | APE12-dist-in | 12.7122 | APE11-dist-in | 11.5438 | APE10-dist-in | 6.7588 | APE9-dist-in | 3.4177 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | G | 370.0 | 333.0 | 11 | 25 | 25 | 0 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 | 7Z5NH | Q13627 | 135 | 480 | 763.0 | 3NG:501 | Type1 | None | DFGin | 6.6792 | 14.8469 | BLAminus | -128.66, -179.58 | 53.82, 77.25 | -93.05, 20.83 | 280.85, 75.88 | -63.97, -13.6 | in-in | in | 9.0745 | Saltbr-in | 3.0013 | HRD-in | -63.15, -47.83 | 74.92, 6.9 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7985 | ActLoopCT-none | nonTYR | APEdihe_aaini | APEdist_niii | APE10-dihe-na | -156.21, 166.85 | APE9-dihe-na | 64.29, 161.67 | APE8-dihe-in | -89.72, 140.84 | APE8-rot-none | 999.0 | APE67-dihe-in | -54.39, -32.97 | -48.02, -56.25 | APE12-dist-none | 999.0 | APE11-dist-in | 10.614 | APE10-dist-in | 7.7666 | APE9-dist-in | 3.2077 | None | PTR321 | PTR321 | XRAY | 2.77 | 0.207 | 0.252 | H | 370.0 | 307.0 | 39 | 25 | 21 | 4 | [[159, 479]] | 1.0 | 7z5n | Homo sapiens | CMGC_DYRK1A_HUMAN | CMGC | 9.2e-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 |
|---|