| 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 | CDK1 | CDK1_HUMAN | 5LQFA | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6739 | 14.6827 | BLAminus | -138.15, 169.23 | 61.1, 76.26 | -94.59, 25.98 | 280.42, 81.48 | -71.64, -17.71 | in-in | in | 9.1825 | Saltbr-in | 2.5634 | HRD-in | -66.11, -52.21 | 72.94, -4.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8005 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -99.53, 148.79 | APE8-rot-out | 178.64 | APE67-dihe-in | -64.53, -20.89 | -112.79, -9.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2044 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | A | 302.0 | 284.0 | 5 | 28 | 23 | 5 | [[4, 287]] | 1.0 | 5lqf | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 5LQFD | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6939 | 14.65 | BLAminus | -133.18, 173.28 | 57.88, 74.37 | -88.85, 25.15 | 291.04, 79.94 | -73.26, -15.44 | in-in | in | 9.2459 | Saltbr-in | 2.675 | HRD-in | -65.87, -50.17 | 70.5, -11.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7812 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 141.65 | APE8-rot-out | 220.2 | APE67-dihe-in | -64.07, -22.46 | -124.27, -22.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | D | 302.0 | 282.0 | 7 | 28 | 21 | 7 | [[4, 287]] | 1.0 | 5lqf | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW9A | P24941 | 1 | 297 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.9195 | 15.0193 | BLAminus | -131.25, 177.14 | 50.41, 78.45 | -89.19, 19.11 | 279.3, 70.96 | -63.04, -21.92 | in-in | in | 8.6273 | Saltbr-in | 2.6639 | HRD-in | -76.84, -55.24 | 73.81, 13.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8738 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.48, 158.17 | APE9-dihe-na | 69.51, 127.63 | APE8-dihe-in | -55.41, 136.69 | APE8-rot-in | 292.83 | APE67-dihe-in | -55.29, -27.14 | -47.71, -50.1 | APE12-dist-in | 13.1033 | APE11-dist-in | 10.3046 | APE10-dist-in | 7.1543 | APE9-dist-in | 3.2322 | K89T | TPO160 | TPO160 | XRAY | 2.0 | 0.212 | 0.24 | A | 302.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw9 | CMGC_CDK2_HUMAN | CMGC | 1.8e-89 | 306.4 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW9C | P24941 | 1 | 296 | 298.0 | 4SP:61297 | Type1 | Active | DFGin | 6.806 | 14.9605 | BLAminus | -133.02, -178.76 | 46.09, 77.69 | -88.26, 25.13 | 279.73, 69.06 | -66.3, -29.69 | in-in | in | 8.5024 | Saltbr-in | 2.5435 | HRD-in | -78.99, -52.42 | 69.26, 9.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9662 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.41, 143.8 | APE9-dihe-na | 66.28, 132.13 | APE8-dihe-in | -59.08, 144.46 | APE8-rot-in | 305.7 | APE67-dihe-in | -55.93, -27.46 | -43.85, -53.77 | APE12-dist-in | 12.8797 | APE11-dist-in | 9.9315 | APE10-dist-in | 7.2757 | APE9-dist-in | 3.1998 | K89T | TPO160 | TPO160 | XRAY | 2.0 | 0.212 | 0.24 | C | 302.0 | 268.0 | 28 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw9 | CMGC_CDK2_HUMAN | CMGC | 1.8e-89 | 306.4 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EORA | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.8817 | 15.0327 | BLAminus | -134.35, 175.73 | 52.6, 78.13 | -90.64, 21.49 | 277.96, 74.78 | -65.84, -25.49 | in-out | in | 8.3967 | Saltbr-out | 4.4145 | HRD-in | -78.57, -52.47 | 67.64, 16.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8849 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -52.36, 151.62 | APE9-dihe-na | 75.68, 126.45 | APE8-dihe-in | -53.52, 134.61 | APE8-rot-in | 299.42 | APE67-dihe-in | -64.87, -24.77 | -45.32, -44.73 | APE12-dist-in | 13.3161 | APE11-dist-in | 9.4861 | APE10-dist-in | 7.2678 | APE9-dist-in | 3.3382 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.222 | 0.245 | A | 298.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eor | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EORC | P24941 | 1 | 294 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.7811 | 14.9498 | BLAminus | -138.63, 178.48 | 45.83, 76.13 | -84.97, 25.42 | 283.82, 70.0 | -63.08, -30.05 | in-in | in | 8.5446 | Saltbr-in | 2.7047 | HRD-in | -80.46, -52.24 | 65.94, 14.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0301 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.75, 149.39 | APE9-dihe-na | 67.36, 128.22 | APE8-dihe-in | -66.22, 148.97 | APE8-rot-out | 182.23 | APE67-dihe-in | -56.76, -22.19 | -48.62, -53.23 | APE12-dist-in | 12.8885 | APE11-dist-in | 9.8402 | APE10-dist-in | 7.0247 | APE9-dist-in | 3.2199 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.222 | 0.245 | C | 298.0 | 270.0 | 24 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eor | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1SA | P24941 | 1 | 296 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.7712 | 14.8796 | BLAminus | -138.27, 176.48 | 54.47, 75.94 | -86.39, 16.38 | 279.91, 75.66 | -60.96, -21.57 | in-in | in | 8.5233 | Saltbr-in | 2.5464 | HRD-in | -82.14, -48.27 | 62.29, 17.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8826 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.1, 148.9 | APE9-dihe-na | 77.73, 132.64 | APE8-dihe-in | -56.46, 146.46 | APE8-rot-in | 297.88 | APE67-dihe-in | -62.68, -22.66 | -55.95, -45.74 | APE12-dist-in | 13.0409 | APE11-dist-in | 10.2524 | APE10-dist-in | 7.4877 | APE9-dist-in | 3.2162 | None | TPO160 | TPO160 | XRAY | 2.0 | 0.236 | 0.286 | A | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1s | CMGC_CDK2_HUMAN | CMGC | 6.8e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1SC | P24941 | 1 | 296 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.5742 | 15.0653 | BLAminus | -139.76, -179.38 | 46.77, 76.48 | -88.51, 14.99 | 275.39, 74.13 | -49.48, -23.18 | in-in | in | 8.9095 | Saltbr-in | 2.6343 | HRD-in | -75.61, -51.23 | 64.22, 19.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9302 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -153.84, 146.42 | APE9-dihe-na | 78.4, 136.91 | APE8-dihe-in | -69.97, 138.51 | APE8-rot-in | 287.12 | APE67-dihe-in | -55.51, -31.94 | -44.12, -51.67 | APE12-dist-in | 13.0782 | APE11-dist-in | 10.3066 | APE10-dist-in | 7.3312 | APE9-dist-in | 3.1764 | None | TPO160 | TPO160 | XRAY | 2.0 | 0.236 | 0.286 | C | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1s | CMGC_CDK2_HUMAN | CMGC | 6.8e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EOKA | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.7575 | 14.9174 | BLAminus | -134.3, -179.84 | 46.41, 76.35 | -85.3, 26.99 | 282.69, 74.66 | -63.13, -40.98 | in-in | in | 8.4046 | Saltbr-in | 2.7512 | HRD-in | -74.27, -58.79 | 75.22, 5.66 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1537 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -48.8, 159.15 | APE9-dihe-na | 69.58, 123.71 | APE8-dihe-in | -65.07, 144.66 | APE8-rot-out | 74.13 | APE67-dihe-in | -57.65, -17.47 | -43.62, -55.86 | APE12-dist-in | 12.6846 | APE11-dist-in | 9.0437 | APE10-dist-in | 6.5841 | APE9-dist-in | 3.2198 | H84S,Q85M,K89D | TPO160 | TPO160 | XRAY | 2.57 | 0.225 | 0.259 | A | 300.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eok | CMGC_CDK2_HUMAN | CMGC | 2.1e-89 | 306.2 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EOKC | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.6795 | 14.9758 | BLAminus | -133.72, 176.62 | 49.75, 77.33 | -90.85, 27.24 | 282.19, 75.0 | -59.18, -42.5 | in-in | in | 8.5547 | Saltbr-in | 2.6782 | HRD-in | -87.05, -50.89 | 65.34, 17.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0315 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.36, 150.06 | APE9-dihe-na | 67.77, 135.16 | APE8-dihe-in | -66.26, 146.78 | APE8-rot-out | 54.84 | APE67-dihe-in | -67.63, -15.19 | -39.34, -49.74 | APE12-dist-in | 12.9653 | APE11-dist-in | 10.176 | APE10-dist-in | 7.0218 | APE9-dist-in | 3.3644 | H84S,Q85M,K89D | TPO160 | TPO160 | XRAY | 2.57 | 0.225 | 0.259 | C | 300.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eok | CMGC_CDK2_HUMAN | CMGC | 2.1e-89 | 306.2 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW8A | P24941 | 1 | 297 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.9074 | 14.8759 | BLAminus | -128.94, 178.15 | 45.79, 77.82 | -89.54, 20.73 | 278.33, 75.94 | -62.77, -23.59 | in-in | in | 8.52 | Saltbr-in | 2.6783 | HRD-in | -82.44, -53.34 | 71.08, 17.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8988 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.18, 148.54 | APE9-dihe-na | 67.67, 128.23 | APE8-dihe-in | -55.32, 132.5 | APE8-rot-in | 304.46 | APE67-dihe-in | -56.59, -27.86 | -44.81, -49.42 | APE12-dist-in | 12.9473 | APE11-dist-in | 10.4394 | APE10-dist-in | 7.3158 | APE9-dist-in | 3.2532 | F82H,L83V,H84D | TPO160 | TPO160 | XRAY | 2.3 | 0.214 | 0.255 | A | 302.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw8 | CMGC_CDK2_HUMAN | CMGC | 1.1e-89 | 307.1 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW8C | P24941 | 1 | 296 | 298.0 | 4SP:61297 | Type1 | Active | DFGin | 6.7761 | 14.9929 | BLAminus | -119.11, -171.67 | 36.55, 74.77 | -80.97, 23.02 | 280.6, 75.2 | -62.4, -19.17 | in-in | in | 8.6717 | Saltbr-in | 2.4825 | HRD-in | -81.37, -52.61 | 71.76, 20.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9714 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.18, 153.02 | APE9-dihe-na | 61.13, 127.0 | APE8-dihe-in | -47.11, 147.78 | APE8-rot-in | 315.45 | APE67-dihe-in | -43.58, -23.45 | -49.47, -61.15 | APE12-dist-in | 12.9056 | APE11-dist-in | 9.9417 | APE10-dist-in | 7.2042 | APE9-dist-in | 3.417 | F82H,L83V,H84D | TPO160 | TPO160 | XRAY | 2.3 | 0.214 | 0.255 | C | 302.0 | 265.0 | 31 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw8 | CMGC_CDK2_HUMAN | CMGC | 1.1e-89 | 307.1 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2C6OA | P24941 | 1 | 296 | 298.0 | 4SP:1297 | Type1 | Inactive | None | 11.1139 | 17.9875 | None | -115.56, 145.07 | 66.98, 16.14 | -33.59, 128.29 | 259.93, 90.05 | 77.49, -4.49 | out-out | out | 14.3213 | Saltbr-out | 16.4135 | HRD-in | -83.83, -61.4 | 84.51, -12.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -72.26, 136.47 | APE9-dihe-na | -73.22, 134.2 | APE8-dihe-in | -68.16, 148.17 | APE8-rot-out | 36.23 | APE67-dihe-in | -69.25, -25.79 | -97.86, -1.88 | APE12-dist-out | 20.0306 | APE11-dist-out | 17.6328 | APE10-dist-out | 18.906 | APE9-dist-out | 10.3773 | None | None | None | XRAY | 2.1 | 0.235 | 0.288 | A | 298.0 | 290.0 | 6 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c6o | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| NEK | NEK2 | NEK2_HUMAN | 5M57A | P51955 | 3 | 271 | 445.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.8566 | 14.9053 | None | -135.46, -174.37 | 50.79, 73.32 | -79.95, 999.0 | 289.86, 69.03 | 999.0, 999.0 | out-none | out | 13.1668 | Saltbr-none | 999.0 | HRD-in | -67.32, -45.79 | 72.98, 0.15 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnno | APE10-dihe-na | 999.0, -18.35 | APE9-dihe-na | -78.84, 166.93 | APE8-dihe-in | -97.45, 140.37 | APE8-rot-out | 196.13 | APE67-dihe-out | -44.71, -40.0 | -94.19, 69.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 14.2658 | None | None | None | XRAY | 2.3 | 0.221 | 0.274 | A | 279.0 | 253.0 | 16 | 28 | 12 | 16 | [[8, 271]] | 1.0 | 5m57 | NEK_NEK2_HUMAN | NEK | 3.4e-109 | 370.2 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| TYR | JAK2-1 | JAK2_HUMAN | 6BSSA | O60674 | 537 | 808 | 1132.0 | 4SP:902 | Type1 | Pseudo | DFGin | 7.5682 | 13.5106 | None | -92.12, 176.26 | -71.33, 155.06 | -76.95, -9.06 | 29.95, 143.27 | 73.96, -170.06 | in-na | in | 9.6875 | Saltbr-na | 999.0 | HRD-in | -85.06, -63.73 | 98.07, -5.96 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 9.8876 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -66.01, -35.23 | APE9-dihe-out | -61.99, -26.69 | APE8-dihe-out | -86.73, 3.75 | APE8-rot-na | 289.32 | APE67-dihe-out | -100.38, 23.52 | -64.28, 136.45 | APE12-dist-na | 9.9849 | APE11-dist-na | 11.5508 | APE10-dist-na | 16.1873 | APE9-dist-out | 12.8821 | W659A,W777A,F794H | None | None | XRAY | 2.1 | 0.194 | 0.235 | A | 289.0 | 271.0 | 1 | 24 | 24 | 0 | [[545, 807], [849, 1125]] | 2.0 | 6bss | TYR_JAK2-1_HUMAN | TYR | 1.9e-64 | 223.4 | 2.0 | 260.0 | 259.0 | 698 | 699 | 700 | 702 | 704 | 581 | 597 | 601 | 670 | 672 | 671 | 673.0 | 735 | 722 | 717 | 716 | 715 | 714 | 713 | 712 | 711 | 627 | Tyrosine-protein kinase JAK2 |
| 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 | CDK1 | CDK1_HUMAN | 5LQFA | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6739 | 14.6827 | BLAminus | -138.15, 169.23 | 61.1, 76.26 | -94.59, 25.98 | 280.42, 81.48 | -71.64, -17.71 | in-in | in | 9.1825 | Saltbr-in | 2.5634 | HRD-in | -66.11, -52.21 | 72.94, -4.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8005 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -99.53, 148.79 | APE8-rot-out | 178.64 | APE67-dihe-in | -64.53, -20.89 | -112.79, -9.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2044 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | A | 302.0 | 284.0 | 5 | 28 | 23 | 5 | [[4, 287]] | 1.0 | 5lqf | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 5LQFD | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6939 | 14.65 | BLAminus | -133.18, 173.28 | 57.88, 74.37 | -88.85, 25.15 | 291.04, 79.94 | -73.26, -15.44 | in-in | in | 9.2459 | Saltbr-in | 2.675 | HRD-in | -65.87, -50.17 | 70.5, -11.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7812 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 141.65 | APE8-rot-out | 220.2 | APE67-dihe-in | -64.07, -22.46 | -124.27, -22.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | D | 302.0 | 282.0 | 7 | 28 | 21 | 7 | [[4, 287]] | 1.0 | 5lqf | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW9A | P24941 | 1 | 297 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.9195 | 15.0193 | BLAminus | -131.25, 177.14 | 50.41, 78.45 | -89.19, 19.11 | 279.3, 70.96 | -63.04, -21.92 | in-in | in | 8.6273 | Saltbr-in | 2.6639 | HRD-in | -76.84, -55.24 | 73.81, 13.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8738 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.48, 158.17 | APE9-dihe-na | 69.51, 127.63 | APE8-dihe-in | -55.41, 136.69 | APE8-rot-in | 292.83 | APE67-dihe-in | -55.29, -27.14 | -47.71, -50.1 | APE12-dist-in | 13.1033 | APE11-dist-in | 10.3046 | APE10-dist-in | 7.1543 | APE9-dist-in | 3.2322 | K89T | TPO160 | TPO160 | XRAY | 2.0 | 0.212 | 0.24 | A | 302.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw9 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 1.8e-89 | 306.4 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW9C | P24941 | 1 | 296 | 298.0 | 4SP:61297 | Type1 | Active | DFGin | 6.806 | 14.9605 | BLAminus | -133.02, -178.76 | 46.09, 77.69 | -88.26, 25.13 | 279.73, 69.06 | -66.3, -29.69 | in-in | in | 8.5024 | Saltbr-in | 2.5435 | HRD-in | -78.99, -52.42 | 69.26, 9.82 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9662 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.41, 143.8 | APE9-dihe-na | 66.28, 132.13 | APE8-dihe-in | -59.08, 144.46 | APE8-rot-in | 305.7 | APE67-dihe-in | -55.93, -27.46 | -43.85, -53.77 | APE12-dist-in | 12.8797 | APE11-dist-in | 9.9315 | APE10-dist-in | 7.2757 | APE9-dist-in | 3.1998 | K89T | TPO160 | TPO160 | XRAY | 2.0 | 0.212 | 0.24 | C | 302.0 | 268.0 | 28 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw9 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 1.8e-89 | 306.4 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EORA | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.8817 | 15.0327 | BLAminus | -134.35, 175.73 | 52.6, 78.13 | -90.64, 21.49 | 277.96, 74.78 | -65.84, -25.49 | in-out | in | 8.3967 | Saltbr-out | 4.4145 | HRD-in | -78.57, -52.47 | 67.64, 16.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8849 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -52.36, 151.62 | APE9-dihe-na | 75.68, 126.45 | APE8-dihe-in | -53.52, 134.61 | APE8-rot-in | 299.42 | APE67-dihe-in | -64.87, -24.77 | -45.32, -44.73 | APE12-dist-in | 13.3161 | APE11-dist-in | 9.4861 | APE10-dist-in | 7.2678 | APE9-dist-in | 3.3382 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.222 | 0.245 | A | 298.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eor | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EORC | P24941 | 1 | 294 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.7811 | 14.9498 | BLAminus | -138.63, 178.48 | 45.83, 76.13 | -84.97, 25.42 | 283.82, 70.0 | -63.08, -30.05 | in-in | in | 8.5446 | Saltbr-in | 2.7047 | HRD-in | -80.46, -52.24 | 65.94, 14.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0301 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.75, 149.39 | APE9-dihe-na | 67.36, 128.22 | APE8-dihe-in | -66.22, 148.97 | APE8-rot-out | 182.23 | APE67-dihe-in | -56.76, -22.19 | -48.62, -53.23 | APE12-dist-in | 12.8885 | APE11-dist-in | 9.8402 | APE10-dist-in | 7.0247 | APE9-dist-in | 3.2199 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.222 | 0.245 | C | 298.0 | 270.0 | 24 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eor | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1SA | P24941 | 1 | 296 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.7712 | 14.8796 | BLAminus | -138.27, 176.48 | 54.47, 75.94 | -86.39, 16.38 | 279.91, 75.66 | -60.96, -21.57 | in-in | in | 8.5233 | Saltbr-in | 2.5464 | HRD-in | -82.14, -48.27 | 62.29, 17.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8826 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.1, 148.9 | APE9-dihe-na | 77.73, 132.64 | APE8-dihe-in | -56.46, 146.46 | APE8-rot-in | 297.88 | APE67-dihe-in | -62.68, -22.66 | -55.95, -45.74 | APE12-dist-in | 13.0409 | APE11-dist-in | 10.2524 | APE10-dist-in | 7.4877 | APE9-dist-in | 3.2162 | None | TPO160 | TPO160 | XRAY | 2.0 | 0.236 | 0.286 | A | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1s | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.8e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1SC | P24941 | 1 | 296 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.5742 | 15.0653 | BLAminus | -139.76, -179.38 | 46.77, 76.48 | -88.51, 14.99 | 275.39, 74.13 | -49.48, -23.18 | in-in | in | 8.9095 | Saltbr-in | 2.6343 | HRD-in | -75.61, -51.23 | 64.22, 19.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9302 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -153.84, 146.42 | APE9-dihe-na | 78.4, 136.91 | APE8-dihe-in | -69.97, 138.51 | APE8-rot-in | 287.12 | APE67-dihe-in | -55.51, -31.94 | -44.12, -51.67 | APE12-dist-in | 13.0782 | APE11-dist-in | 10.3066 | APE10-dist-in | 7.3312 | APE9-dist-in | 3.1764 | None | TPO160 | TPO160 | XRAY | 2.0 | 0.236 | 0.286 | C | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1s | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.8e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EOKA | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.7575 | 14.9174 | BLAminus | -134.3, -179.84 | 46.41, 76.35 | -85.3, 26.99 | 282.69, 74.66 | -63.13, -40.98 | in-in | in | 8.4046 | Saltbr-in | 2.7512 | HRD-in | -74.27, -58.79 | 75.22, 5.66 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1537 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -48.8, 159.15 | APE9-dihe-na | 69.58, 123.71 | APE8-dihe-in | -65.07, 144.66 | APE8-rot-out | 74.13 | APE67-dihe-in | -57.65, -17.47 | -43.62, -55.86 | APE12-dist-in | 12.6846 | APE11-dist-in | 9.0437 | APE10-dist-in | 6.5841 | APE9-dist-in | 3.2198 | H84S,Q85M,K89D | TPO160 | TPO160 | XRAY | 2.57 | 0.225 | 0.259 | A | 300.0 | 293.0 | 4 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eok | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 2.1e-89 | 306.2 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 4EOKC | P24941 | 1 | 297 | 298.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.6795 | 14.9758 | BLAminus | -133.72, 176.62 | 49.75, 77.33 | -90.85, 27.24 | 282.19, 75.0 | -59.18, -42.5 | in-in | in | 8.5547 | Saltbr-in | 2.6782 | HRD-in | -87.05, -50.89 | 65.34, 17.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0315 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.36, 150.06 | APE9-dihe-na | 67.77, 135.16 | APE8-dihe-in | -66.26, 146.78 | APE8-rot-out | 54.84 | APE67-dihe-in | -67.63, -15.19 | -39.34, -49.74 | APE12-dist-in | 12.9653 | APE11-dist-in | 10.176 | APE10-dist-in | 7.0218 | APE9-dist-in | 3.3644 | H84S,Q85M,K89D | TPO160 | TPO160 | XRAY | 2.57 | 0.225 | 0.259 | C | 300.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4eok | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 2.1e-89 | 306.2 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW8A | P24941 | 1 | 297 | 298.0 | 4SP:61298 | Type1 | Active | DFGin | 6.9074 | 14.8759 | BLAminus | -128.94, 178.15 | 45.79, 77.82 | -89.54, 20.73 | 278.33, 75.94 | -62.77, -23.59 | in-in | in | 8.52 | Saltbr-in | 2.6783 | HRD-in | -82.44, -53.34 | 71.08, 17.45 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8988 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.18, 148.54 | APE9-dihe-na | 67.67, 128.23 | APE8-dihe-in | -55.32, 132.5 | APE8-rot-in | 304.46 | APE67-dihe-in | -56.59, -27.86 | -44.81, -49.42 | APE12-dist-in | 12.9473 | APE11-dist-in | 10.4394 | APE10-dist-in | 7.3158 | APE9-dist-in | 3.2532 | F82H,L83V,H84D | TPO160 | TPO160 | XRAY | 2.3 | 0.214 | 0.255 | A | 302.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw8 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 1.1e-89 | 307.1 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2IW8C | P24941 | 1 | 296 | 298.0 | 4SP:61297 | Type1 | Active | DFGin | 6.7761 | 14.9929 | BLAminus | -119.11, -171.67 | 36.55, 74.77 | -80.97, 23.02 | 280.6, 75.2 | -62.4, -19.17 | in-in | in | 8.6717 | Saltbr-in | 2.4825 | HRD-in | -81.37, -52.61 | 71.76, 20.77 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9714 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.18, 153.02 | APE9-dihe-na | 61.13, 127.0 | APE8-dihe-in | -47.11, 147.78 | APE8-rot-in | 315.45 | APE67-dihe-in | -43.58, -23.45 | -49.47, -61.15 | APE12-dist-in | 12.9056 | APE11-dist-in | 9.9417 | APE10-dist-in | 7.2042 | APE9-dist-in | 3.417 | F82H,L83V,H84D | TPO160 | TPO160 | XRAY | 2.3 | 0.214 | 0.255 | C | 302.0 | 265.0 | 31 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2iw8 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 1.1e-89 | 307.1 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 2C6OA | P24941 | 1 | 296 | 298.0 | 4SP:1297 | Type1 | Inactive | None | 11.1139 | 17.9875 | None | -115.56, 145.07 | 66.98, 16.14 | -33.59, 128.29 | 259.93, 90.05 | 77.49, -4.49 | out-out | out | 14.3213 | Saltbr-out | 16.4135 | HRD-in | -83.83, -61.4 | 84.51, -12.2 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8736 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -72.26, 136.47 | APE9-dihe-na | -73.22, 134.2 | APE8-dihe-in | -68.16, 148.17 | APE8-rot-out | 36.23 | APE67-dihe-in | -69.25, -25.79 | -97.86, -1.88 | APE12-dist-out | 20.0306 | APE11-dist-out | 17.6328 | APE10-dist-out | 18.906 | APE9-dist-out | 10.3773 | None | None | None | XRAY | 2.1 | 0.235 | 0.288 | A | 298.0 | 290.0 | 6 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 2c6o | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| NEK | NEK2 | NEK2_HUMAN | 5M57A | P51955 | 3 | 271 | 445.0 | 4SP:60301 | Type1 | Inactive | DFGin | 6.8566 | 14.9053 | None | -135.46, -174.37 | 50.79, 73.32 | -79.95, 999.0 | 289.86, 69.03 | 999.0, 999.0 | out-none | out | 13.1668 | Saltbr-none | 999.0 | HRD-in | -67.32, -45.79 | 72.98, 0.15 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnno | APE10-dihe-na | 999.0, -18.35 | APE9-dihe-na | -78.84, 166.93 | APE8-dihe-in | -97.45, 140.37 | APE8-rot-out | 196.13 | APE67-dihe-out | -44.71, -40.0 | -94.19, 69.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 14.2658 | None | None | None | XRAY | 2.3 | 0.221 | 0.274 | A | 279.0 | 253.0 | 16 | 28 | 12 | 16 | [[8, 271]] | 1.0 | 5m57 | Homo sapiens | NEK_NEK2_HUMAN | NEK | 3.4e-109 | 370.2 | 1.0 | 256.0 | 256.0 | 158 | 159 | 160 | 162 | 164 | 37 | 55 | 59 | 138 | 140 | 139 | 141.0 | 198 | 186 | 181 | 180 | 179 | 178 | 177 | 176 | 175 | 87 | Serine/threonine-protein kinase Nek2 |
| TYR | JAK2-1 | JAK2_HUMAN | 6BSSA | O60674 | 537 | 808 | 1132.0 | 4SP:902 | Type1 | Pseudo | DFGin | 7.5682 | 13.5106 | None | -92.12, 176.26 | -71.33, 155.06 | -76.95, -9.06 | 29.95, 143.27 | 73.96, -170.06 | in-na | in | 9.6875 | Saltbr-na | 999.0 | HRD-in | -85.06, -63.73 | 98.07, -5.96 | na-out-out | SNCaoo | out-out | ActLoopNT-out | 9.8876 | ActLoopCT-out | TYR | APEdihe_oooao | APEdist_aaao | APE10-dihe-out | -66.01, -35.23 | APE9-dihe-out | -61.99, -26.69 | APE8-dihe-out | -86.73, 3.75 | APE8-rot-na | 289.32 | APE67-dihe-out | -100.38, 23.52 | -64.28, 136.45 | APE12-dist-na | 9.9849 | APE11-dist-na | 11.5508 | APE10-dist-na | 16.1873 | APE9-dist-out | 12.8821 | W659A,W777A,F794H | None | None | XRAY | 2.1 | 0.194 | 0.235 | A | 289.0 | 271.0 | 1 | 24 | 24 | 0 | [[545, 807], [849, 1125]] | 2.0 | 6bss | Homo sapiens | TYR_JAK2-1_HUMAN | TYR | 1.9e-64 | 223.4 | 2.0 | 260.0 | 259.0 | 698 | 699 | 700 | 702 | 704 | 581 | 597 | 601 | 670 | 672 | 671 | 673.0 | 735 | 722 | 717 | 716 | 715 | 714 | 713 | 712 | 711 | 627 | Tyrosine-protein kinase JAK2 |
| 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 |
|---|