| Gene | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CDK4 | AF-P11802-K1A | P11802 | 1 | 303 | 303.0 | No_ligand | No_ligand | Active | DFGin | 6.8029 | 14.995 | BLAminus | -137.66, 171.64 | 56.56, 71.26 | -80.71, 15.18 | 285.08, 74.27 | -60.34, -28.29 | in-in | in | 8.8995 | Saltbr-in | 2.7745 | HRD-in | -77.54, -48.17 | 63.23, 20.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.62, 157.99 | APE9-dihe-na | 61.06, 139.42 | APE8-dihe-in | -60.75, 138.1 | APE8-rot-in | 302.5 | APE67-dihe-in | -66.16, -25.38 | -46.32, -43.78 | APE12-dist-in | 13.3032 | APE11-dist-in | 10.416 | APE10-dist-in | 6.967 | APE9-dist-in | 3.4354 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 303.0 | 303.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | AF-P11802-K1 | CMGC_CDK4_HUMAN | CMGC | 2.4e-82 | 284.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | AF-P11802-K3A | P11802 | 1 | 303 | 303.0 | No_ligand | No_ligand | Active | DFGin | 6.9722 | 14.3157 | BLAminus | -140.64, 174.46 | 58.54, 61.37 | -72.05, 12.34 | 289.32, 86.11 | -59.58, -31.21 | in-in | in | 8.8302 | Saltbr-in | 2.7457 | HRD-in | -75.54, -47.18 | 65.98, 12.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.97, 162.78 | APE9-dihe-na | 63.84, 134.0 | APE8-dihe-in | -55.38, 131.53 | APE8-rot-in | 300.45 | APE67-dihe-in | -65.87, -21.72 | -45.36, -43.6 | APE12-dist-in | 13.0073 | APE11-dist-in | 10.6559 | APE10-dist-in | 6.6855 | APE9-dist-in | 3.4209 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 303.0 | 303.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | AF-P11802-K3 | CMGC_CDK4_HUMAN | CMGC | 2.4e-82 | 284.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 7SJ3A | P11802 | 2 | 295 | 303.0 | 6ZV:60401 | Type1 | Inactive | DFGin | 6.9922 | 14.3054 | BLAminus | -134.61, 173.86 | 64.49, 87.43 | -108.0, 21.13 | 290.63, 78.01 | -69.87, -19.84 | in-in | in | 8.5505 | Saltbr-in | 2.9614 | HRD-in | -78.15, -54.2 | 69.76, 16.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0086 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.11, 167.62 | APE9-dihe-na | 67.71, 141.27 | APE8-dihe-in | -65.69, 157.5 | APE8-rot-out | 56.97 | APE67-dihe-in | -70.07, -15.52 | -57.83, -49.15 | APE12-dist-in | 13.4012 | APE11-dist-in | 11.6347 | APE10-dist-in | 7.2107 | APE9-dist-in | 3.3524 | None | TPO172 | TPO172 | XRAY | 2.51 | 0.201 | 0.234 | A | 311.0 | 274.0 | 20 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 7sj3 | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 3G33A | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2285 | 13.0663 | BLAplus | -142.88, 171.64 | 56.0, 47.42 | -95.76, -74.88 | 39.74, 92.76 | -89.1, 52.66 | out-out | out | 13.3936 | Saltbr-out | 12.7365 | HRD-out | -70.47, 107.14 | -77.38, -11.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.146 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -112.02, 17.47 | APE9-dihe-na | -57.13, 123.8 | APE8-dihe-in | -75.56, 115.53 | APE8-rot-in | 296.37 | APE67-dihe-in | -75.06, -38.76 | -107.48, 26.51 | APE12-dist-out | 15.1485 | APE11-dist-out | 19.7087 | APE10-dist-out | 18.8827 | APE9-dist-out | 10.6827 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | A | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 3G33C | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2302 | 13.0724 | BLAplus | -142.73, 171.58 | 56.35, 47.2 | -95.59, -75.01 | 39.79, 92.46 | -89.05, 52.74 | out-out | out | 13.3987 | Saltbr-out | 12.7558 | HRD-out | -70.38, 107.08 | -77.21, -11.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioo | APE10-dihe-na | -122.56, 127.03 | APE9-dihe-na | -128.56, 160.4 | APE8-dihe-in | -71.99, 118.06 | APE8-rot-in | 294.93 | APE67-dihe-in | -75.17, -38.51 | -107.42, 26.48 | APE12-dist-out | 18.59 | APE11-dist-in | 13.776 | APE10-dist-out | 18.297 | APE9-dist-out | 10.4233 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | C | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 6P8GB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1962 | 13.9996 | BLBplus | -153.95, 174.6 | 57.94, 70.96 | -149.12, 152.68 | 49.52, 84.31 | 64.32, 40.52 | out-out | out | 12.385 | Saltbr-out | 12.423 | HRD-in | -69.44, -39.33 | 67.19, -14.64 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 141.23 | APE8-dihe-in | -106.55, 111.77 | APE8-rot-in | 291.28 | APE67-dihe-in | -76.6, -17.58 | -96.95, 7.97 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.7466 | G43E,G47E | None | None | XRAY | 2.8 | 0.224 | 0.275 | B | 302.0 | 259.0 | 32 | 27 | 13 | 14 | [[6, 295]] | 1.0 | 6p8g | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 6P8HB | P11802 | 18 | 298 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0108 | 15.5918 | BLBplus | -151.65, 177.24 | 57.52, 73.66 | -156.35, 151.02 | 52.92, 86.88 | 58.49, 38.13 | out-out | out | 13.7366 | Saltbr-out | 10.388 | HRD-in | -69.37, -37.71 | 69.34, -28.0 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | 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, 163.75 | APE8-rot-out | 182.85 | APE67-dihe-in | -68.26, -48.6 | -91.47, 8.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.19 | 0.208 | 0.258 | B | 302.0 | 258.0 | 32 | 27 | 12 | 15 | [[6, 295]] | 1.0 | 6p8h | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 2W99B | P11802 | 2 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2845 | 11.5695 | BLBplus | -145.47, 169.48 | 48.57, 20.39 | -49.3, 153.47 | 41.84, 18.47 | 63.82, -59.07 | out-out | out | 13.6804 | Saltbr-out | 15.5131 | HRD-out | -88.75, 141.71 | -89.35, -72.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.0234 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -81.95, -60.57 | APE9-dihe-na | 70.09, 34.59 | APE8-dihe-in | -58.25, 59.54 | APE8-rot-in | 321.92 | APE67-dihe-out | -80.18, -28.44 | -67.38, 50.76 | APE12-dist-out | 15.2384 | APE11-dist-out | 14.8692 | APE10-dist-out | 15.43 | APE9-dist-out | 10.634 | G43E,G47E,T172A | None | None | XRAY | 2.8 | 0.216 | 0.27 | B | 306.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w99 | CMGC_CDK4_HUMAN | CMGC | 7.4e-83 | 286.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 2W9ZB | P11802 | 2 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8202 | 13.1654 | BLBplus | -127.71, 158.61 | 66.14, 21.58 | -72.53, 154.81 | 42.87, 70.59 | 55.81, 36.49 | out-out | out | 13.7253 | Saltbr-out | 14.7818 | HRD-in | -83.81, -63.81 | 80.62, -18.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3755 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | 45.46, -155.55 | APE9-dihe-na | 162.76, -163.54 | APE8-dihe-out | 166.61, 46.87 | APE8-rot-out | 176.1 | APE67-dihe-in | -56.1, -15.07 | -48.29, 2.32 | APE12-dist-out | 15.9035 | APE11-dist-out | 14.9661 | APE10-dist-out | 15.6944 | APE9-dist-out | 10.4291 | G43E,G47E,T172A | None | None | XRAY | 2.45 | 0.228 | 0.272 | B | 306.0 | 287.0 | 4 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w9z | CMGC_CDK4_HUMAN | CMGC | 7.4e-83 | 286.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 2W96B | P11802 | 4 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3573 | 13.1839 | BLBplus | -130.56, 159.68 | 70.54, 19.8 | -84.14, 138.34 | 49.7, 90.7 | 82.01, 16.89 | out-out | out | 14.1405 | Saltbr-out | 14.8158 | HRD-in | -73.44, -58.67 | 84.56, -28.84 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3487 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -141.55, -5.42 | APE9-dihe-na | 22.28, 70.45 | APE8-dihe-in | -71.88, 106.42 | APE8-rot-in | 301.99 | APE67-dihe-in | -68.93, -11.24 | -109.69, 5.09 | APE12-dist-out | 15.5462 | APE11-dist-out | 15.9533 | APE10-dist-out | 15.4616 | APE9-dist-out | 9.9992 | G43E,G47E,T172D | None | None | XRAY | 2.3 | 0.205 | 0.259 | B | 306.0 | 267.0 | 22 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w96 | CMGC_CDK4_HUMAN | CMGC | 5.9e-83 | 286.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 9CSKB | P11802 | 4 | 295 | 303.0 | A1AZ4:69001 | Type1 | Inactive | DFGin | 6.9052 | 13.3928 | BLBplus | -140.66, 168.34 | 59.22, 51.64 | -130.79, 158.66 | 53.74, 83.38 | 77.64, 9.34 | out-none | out | 13.5537 | Saltbr-none | 999.0 | HRD-in | -60.89, -53.65 | 80.76, -9.31 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 8.7596 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -46.27 | APE9-dihe-na | -134.2, 153.76 | APE8-dihe-in | -75.16, 135.6 | APE8-rot-out | 61.41 | APE67-dihe-in | -65.27, -24.32 | -94.32, 14.3 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.1832 | APE9-dist-out | 10.5352 | G43E,G47E | None | None | XRAY | 2.253 | 0.226 | 0.27 | B | 314.0 | 279.0 | 10 | 27 | 20 | 7 | [[6, 295]] | 1.0 | 9csk | CMGC_CDK4_HUMAN | CMGC | 1.9e-83 | 288.5 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 9CSKD | P11802 | 4 | 295 | 303.0 | A1AZ4:69001 | Type1 | Inactive | DFGin | 7.0136 | 14.0439 | BLBplus | -138.98, 169.16 | 59.76, 52.66 | -134.78, 161.94 | 55.22, 78.79 | 76.68, 11.21 | out-out | out | 13.4275 | Saltbr-out | 10.2232 | HRD-in | -62.07, -51.58 | 81.35, -6.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.454 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -156.16, 3.85 | APE9-dihe-na | -56.17, 137.0 | APE8-dihe-in | -71.98, 128.93 | APE8-rot-in | 298.58 | APE67-dihe-in | -69.3, -22.17 | -104.55, 15.99 | APE12-dist-none | 999.0 | APE11-dist-out | 19.2537 | APE10-dist-out | 19.0019 | APE9-dist-out | 9.7368 | G43E,G47E | None | None | XRAY | 2.253 | 0.226 | 0.27 | D | 314.0 | 283.0 | 6 | 27 | 21 | 6 | [[6, 295]] | 1.0 | 9csk | CMGC_CDK4_HUMAN | CMGC | 1.9e-83 | 288.5 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 6P8EB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0044 | 13.6286 | None | -117.77, -72.88 | -107.88, 78.51 | -118.9, 163.81 | 54.02, 80.6 | 48.95, 65.67 | out-out | out | 12.409 | Saltbr-out | 13.388 | HRD-in | -64.13, -55.39 | 86.4, -18.6 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | 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, 138.05 | APE8-rot-out | 188.09 | APE67-dihe-in | -66.03, -29.27 | -109.32, 4.39 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | G43E,G47E | None | None | XRAY | 2.3 | 0.175 | 0.222 | B | 302.0 | 260.0 | 31 | 27 | 12 | 15 | [[6, 295]] | 1.0 | 6p8e | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 6P8FB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7494 | 13.7427 | None | -149.06, 177.93 | 56.83, 84.9 | -168.16, 150.56 | 57.88, 90.12 | 60.26, 33.17 | out-out | out | 12.4664 | Saltbr-out | 11.937 | HRD-in | -67.53, -46.86 | 65.41, -6.49 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 167.16 | APE8-dihe-in | -108.02, 135.84 | APE8-rot-out | 185.16 | APE67-dihe-in | -61.26, -17.97 | -103.23, 9.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3291 | G43E,G47E | None | None | XRAY | 2.89 | 0.189 | 0.242 | B | 302.0 | 262.0 | 29 | 27 | 14 | 13 | [[6, 295]] | 1.0 | 6p8f | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 2W9FB | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1342 | 12.7862 | None | -118.14, -62.46 | -136.13, 77.76 | -93.66, 151.53 | 25.95, 76.09 | 57.89, -6.88 | out-out | out | 13.7541 | Saltbr-out | 16.4265 | HRD-in | -86.38, -51.14 | 71.27, -31.56 | out-out-none | SNCoon | out-none | ActLoopNT-out | 7.2591 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 96.26 | APE8-rot-in | 295.94 | APE67-dihe-in | -52.44, -36.01 | -70.67, 6.23 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | G43E,G47E,T172F | None | None | XRAY | 2.85 | 0.229 | 0.3 | B | 306.0 | 261.0 | 27 | 27 | 21 | 6 | [[6, 295]] | 1.0 | 2w9f | CMGC_CDK4_HUMAN | CMGC | 1.5e-82 | 285.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 5FWKK | P11802 | 87 | 296 | 303.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -149.87, 165.29 | 70.66, 78.41 | -92.74, 75.44 | 300.44, 112.3 | 89.8, 154.06 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-out | -162.96, 58.72 | -62.47, -12.05 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6291 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -59.54, -39.45 | APE9-dihe-na | -48.41, 147.28 | APE8-dihe-in | -51.05, 115.81 | APE8-rot-in | 300.88 | APE67-dihe-out | -70.78, -11.85 | -94.22, 53.82 | APE12-dist-in | 8.3252 | APE11-dist-in | 10.4532 | APE10-dist-out | 15.0462 | APE9-dist-out | 12.8934 | None | None | None | EM | 3.9 | 999.0 | 999.0 | K | 310.0 | 210.0 | 81 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwk | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 5FWLK | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 48.1987 | 49.2195 | None | -149.04, 167.22 | 70.51, 77.19 | -94.69, 75.52 | 299.88, 116.65 | 91.08, 152.36 | in-out | in | 9.3607 | Saltbr-out | 7.7861 | HRD-out | -162.84, 59.23 | -64.44, -13.38 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.678 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -55.89, -38.57 | APE9-dihe-na | -48.82, 148.99 | APE8-dihe-in | -50.56, 116.76 | APE8-rot-in | 300.07 | APE67-dihe-out | -70.78, -12.08 | -94.78, 54.09 | APE12-dist-in | 8.4735 | APE11-dist-in | 10.5119 | APE10-dist-out | 15.1148 | APE9-dist-out | 12.9513 | None | None | None | EM | 9.0 | 999.0 | 999.0 | K | 310.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwl | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 5FWMK | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 55.9795 | 47.2536 | None | -148.61, 165.82 | 70.36, 77.56 | -94.31, 75.71 | 300.0, 116.31 | 91.42, 152.54 | in-out | in | 9.991 | Saltbr-out | 6.8718 | HRD-out | -162.91, 59.01 | -63.71, -13.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.6742 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -58.09, -39.57 | APE9-dihe-na | -48.6, 148.94 | APE8-dihe-in | -50.63, 116.26 | APE8-rot-in | 299.96 | APE67-dihe-out | -70.37, -11.94 | -94.86, 54.58 | APE12-dist-in | 8.3719 | APE11-dist-in | 10.5059 | APE10-dist-out | 15.0897 | APE9-dist-out | 13.0112 | None | None | None | EM | 8.0 | 999.0 | 999.0 | K | 310.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwm | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | 5FWPK | P11802 | 87 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -148.56, 165.77 | 70.31, 77.45 | -94.72, 75.34 | 299.55, 116.81 | 91.01, 152.89 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-out | -162.95, 59.33 | -63.99, -13.24 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6157 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -52.1, -37.6 | APE9-dihe-na | -48.76, 149.1 | APE8-dihe-in | -50.61, 116.92 | APE8-rot-in | 300.06 | APE67-dihe-out | -70.39, -11.86 | -95.32, 54.3 | APE12-dist-in | 8.5016 | APE11-dist-in | 10.4933 | APE10-dist-out | 15.1178 | APE9-dist-out | 12.9747 | None | None | None | EM | 7.2 | 999.0 | 999.0 | K | 310.0 | 209.0 | 81 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwp | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CDK4 | CDK4_HUMAN | AF-P11802-K1A | P11802 | 1 | 303 | 303.0 | No_ligand | No_ligand | Active | DFGin | 6.8029 | 14.995 | BLAminus | -137.66, 171.64 | 56.56, 71.26 | -80.71, 15.18 | 285.08, 74.27 | -60.34, -28.29 | in-in | in | 8.8995 | Saltbr-in | 2.7745 | HRD-in | -77.54, -48.17 | 63.23, 20.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.62, 157.99 | APE9-dihe-na | 61.06, 139.42 | APE8-dihe-in | -60.75, 138.1 | APE8-rot-in | 302.5 | APE67-dihe-in | -66.16, -25.38 | -46.32, -43.78 | APE12-dist-in | 13.3032 | APE11-dist-in | 10.416 | APE10-dist-in | 6.967 | APE9-dist-in | 3.4354 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 303.0 | 303.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | AF-P11802-K1 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.4e-82 | 284.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | AF-P11802-K3A | P11802 | 1 | 303 | 303.0 | No_ligand | No_ligand | Active | DFGin | 6.9722 | 14.3157 | BLAminus | -140.64, 174.46 | 58.54, 61.37 | -72.05, 12.34 | 289.32, 86.11 | -59.58, -31.21 | in-in | in | 8.8302 | Saltbr-in | 2.7457 | HRD-in | -75.54, -47.18 | 65.98, 12.71 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.97, 162.78 | APE9-dihe-na | 63.84, 134.0 | APE8-dihe-in | -55.38, 131.53 | APE8-rot-in | 300.45 | APE67-dihe-in | -65.87, -21.72 | -45.36, -43.6 | APE12-dist-in | 13.0073 | APE11-dist-in | 10.6559 | APE10-dist-in | 6.6855 | APE9-dist-in | 3.4209 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 303.0 | 303.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | AF-P11802-K3 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.4e-82 | 284.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 7SJ3A | P11802 | 2 | 295 | 303.0 | 6ZV:60401 | Type1 | Inactive | DFGin | 6.9922 | 14.3054 | BLAminus | -134.61, 173.86 | 64.49, 87.43 | -108.0, 21.13 | 290.63, 78.01 | -69.87, -19.84 | in-in | in | 8.5505 | Saltbr-in | 2.9614 | HRD-in | -78.15, -54.2 | 69.76, 16.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0086 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -136.11, 167.62 | APE9-dihe-na | 67.71, 141.27 | APE8-dihe-in | -65.69, 157.5 | APE8-rot-out | 56.97 | APE67-dihe-in | -70.07, -15.52 | -57.83, -49.15 | APE12-dist-in | 13.4012 | APE11-dist-in | 11.6347 | APE10-dist-in | 7.2107 | APE9-dist-in | 3.3524 | None | TPO172 | TPO172 | XRAY | 2.51 | 0.201 | 0.234 | A | 311.0 | 274.0 | 20 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 7sj3 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 3G33A | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2285 | 13.0663 | BLAplus | -142.88, 171.64 | 56.0, 47.42 | -95.76, -74.88 | 39.74, 92.76 | -89.1, 52.66 | out-out | out | 13.3936 | Saltbr-out | 12.7365 | HRD-out | -70.47, 107.14 | -77.38, -11.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.146 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -112.02, 17.47 | APE9-dihe-na | -57.13, 123.8 | APE8-dihe-in | -75.56, 115.53 | APE8-rot-in | 296.37 | APE67-dihe-in | -75.06, -38.76 | -107.48, 26.51 | APE12-dist-out | 15.1485 | APE11-dist-out | 19.7087 | APE10-dist-out | 18.8827 | APE9-dist-out | 10.6827 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | A | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 3G33C | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2302 | 13.0724 | BLAplus | -142.73, 171.58 | 56.35, 47.2 | -95.59, -75.01 | 39.79, 92.46 | -89.05, 52.74 | out-out | out | 13.3987 | Saltbr-out | 12.7558 | HRD-out | -70.38, 107.08 | -77.21, -11.68 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.1443 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioo | APE10-dihe-na | -122.56, 127.03 | APE9-dihe-na | -128.56, 160.4 | APE8-dihe-in | -71.99, 118.06 | APE8-rot-in | 294.93 | APE67-dihe-in | -75.17, -38.51 | -107.42, 26.48 | APE12-dist-out | 18.59 | APE11-dist-in | 13.776 | APE10-dist-out | 18.297 | APE9-dist-out | 10.4233 | None | None | None | XRAY | 3.0 | 0.283 | 0.314 | C | 308.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 3g33 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.6e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 6P8GB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1962 | 13.9996 | BLBplus | -153.95, 174.6 | 57.94, 70.96 | -149.12, 152.68 | 49.52, 84.31 | 64.32, 40.52 | out-out | out | 12.385 | Saltbr-out | 12.423 | HRD-in | -69.44, -39.33 | 67.19, -14.64 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 141.23 | APE8-dihe-in | -106.55, 111.77 | APE8-rot-in | 291.28 | APE67-dihe-in | -76.6, -17.58 | -96.95, 7.97 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.7466 | G43E,G47E | None | None | XRAY | 2.8 | 0.224 | 0.275 | B | 302.0 | 259.0 | 32 | 27 | 13 | 14 | [[6, 295]] | 1.0 | 6p8g | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 6P8HB | P11802 | 18 | 298 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0108 | 15.5918 | BLBplus | -151.65, 177.24 | 57.52, 73.66 | -156.35, 151.02 | 52.92, 86.88 | 58.49, 38.13 | out-out | out | 13.7366 | Saltbr-out | 10.388 | HRD-in | -69.37, -37.71 | 69.34, -28.0 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | 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, 163.75 | APE8-rot-out | 182.85 | APE67-dihe-in | -68.26, -48.6 | -91.47, 8.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.19 | 0.208 | 0.258 | B | 302.0 | 258.0 | 32 | 27 | 12 | 15 | [[6, 295]] | 1.0 | 6p8h | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 2W99B | P11802 | 2 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.2845 | 11.5695 | BLBplus | -145.47, 169.48 | 48.57, 20.39 | -49.3, 153.47 | 41.84, 18.47 | 63.82, -59.07 | out-out | out | 13.6804 | Saltbr-out | 15.5131 | HRD-out | -88.75, 141.71 | -89.35, -72.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.0234 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -81.95, -60.57 | APE9-dihe-na | 70.09, 34.59 | APE8-dihe-in | -58.25, 59.54 | APE8-rot-in | 321.92 | APE67-dihe-out | -80.18, -28.44 | -67.38, 50.76 | APE12-dist-out | 15.2384 | APE11-dist-out | 14.8692 | APE10-dist-out | 15.43 | APE9-dist-out | 10.634 | G43E,G47E,T172A | None | None | XRAY | 2.8 | 0.216 | 0.27 | B | 306.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w99 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 7.4e-83 | 286.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 2W9ZB | P11802 | 2 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.8202 | 13.1654 | BLBplus | -127.71, 158.61 | 66.14, 21.58 | -72.53, 154.81 | 42.87, 70.59 | 55.81, 36.49 | out-out | out | 13.7253 | Saltbr-out | 14.7818 | HRD-in | -83.81, -63.81 | 80.62, -18.22 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3755 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_oooo | APE10-dihe-na | 45.46, -155.55 | APE9-dihe-na | 162.76, -163.54 | APE8-dihe-out | 166.61, 46.87 | APE8-rot-out | 176.1 | APE67-dihe-in | -56.1, -15.07 | -48.29, 2.32 | APE12-dist-out | 15.9035 | APE11-dist-out | 14.9661 | APE10-dist-out | 15.6944 | APE9-dist-out | 10.4291 | G43E,G47E,T172A | None | None | XRAY | 2.45 | 0.228 | 0.272 | B | 306.0 | 287.0 | 4 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w9z | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 7.4e-83 | 286.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 2W96B | P11802 | 4 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3573 | 13.1839 | BLBplus | -130.56, 159.68 | 70.54, 19.8 | -84.14, 138.34 | 49.7, 90.7 | 82.01, 16.89 | out-out | out | 14.1405 | Saltbr-out | 14.8158 | HRD-in | -73.44, -58.67 | 84.56, -28.84 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.3487 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -141.55, -5.42 | APE9-dihe-na | 22.28, 70.45 | APE8-dihe-in | -71.88, 106.42 | APE8-rot-in | 301.99 | APE67-dihe-in | -68.93, -11.24 | -109.69, 5.09 | APE12-dist-out | 15.5462 | APE11-dist-out | 15.9533 | APE10-dist-out | 15.4616 | APE9-dist-out | 9.9992 | G43E,G47E,T172D | None | None | XRAY | 2.3 | 0.205 | 0.259 | B | 306.0 | 267.0 | 22 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 2w96 | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 5.9e-83 | 286.9 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 9CSKB | P11802 | 4 | 295 | 303.0 | A1AZ4:69001 | Type1 | Inactive | DFGin | 6.9052 | 13.3928 | BLBplus | -140.66, 168.34 | 59.22, 51.64 | -130.79, 158.66 | 53.74, 83.38 | 77.64, 9.34 | out-none | out | 13.5537 | Saltbr-none | 999.0 | HRD-in | -60.89, -53.65 | 80.76, -9.31 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 8.7596 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -46.27 | APE9-dihe-na | -134.2, 153.76 | APE8-dihe-in | -75.16, 135.6 | APE8-rot-out | 61.41 | APE67-dihe-in | -65.27, -24.32 | -94.32, 14.3 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.1832 | APE9-dist-out | 10.5352 | G43E,G47E | None | None | XRAY | 2.253 | 0.226 | 0.27 | B | 314.0 | 279.0 | 10 | 27 | 20 | 7 | [[6, 295]] | 1.0 | 9csk | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.9e-83 | 288.5 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 9CSKD | P11802 | 4 | 295 | 303.0 | A1AZ4:69001 | Type1 | Inactive | DFGin | 7.0136 | 14.0439 | BLBplus | -138.98, 169.16 | 59.76, 52.66 | -134.78, 161.94 | 55.22, 78.79 | 76.68, 11.21 | out-out | out | 13.4275 | Saltbr-out | 10.2232 | HRD-in | -62.07, -51.58 | 81.35, -6.14 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.454 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -156.16, 3.85 | APE9-dihe-na | -56.17, 137.0 | APE8-dihe-in | -71.98, 128.93 | APE8-rot-in | 298.58 | APE67-dihe-in | -69.3, -22.17 | -104.55, 15.99 | APE12-dist-none | 999.0 | APE11-dist-out | 19.2537 | APE10-dist-out | 19.0019 | APE9-dist-out | 9.7368 | G43E,G47E | None | None | XRAY | 2.253 | 0.226 | 0.27 | D | 314.0 | 283.0 | 6 | 27 | 21 | 6 | [[6, 295]] | 1.0 | 9csk | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.9e-83 | 288.5 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 6P8EB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.0044 | 13.6286 | None | -117.77, -72.88 | -107.88, 78.51 | -118.9, 163.81 | 54.02, 80.6 | 48.95, 65.67 | out-out | out | 12.409 | Saltbr-out | 13.388 | HRD-in | -64.13, -55.39 | 86.4, -18.6 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | 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, 138.05 | APE8-rot-out | 188.09 | APE67-dihe-in | -66.03, -29.27 | -109.32, 4.39 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | G43E,G47E | None | None | XRAY | 2.3 | 0.175 | 0.222 | B | 302.0 | 260.0 | 31 | 27 | 12 | 15 | [[6, 295]] | 1.0 | 6p8e | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 6P8FB | P11802 | 18 | 299 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7494 | 13.7427 | None | -149.06, 177.93 | 56.83, 84.9 | -168.16, 150.56 | 57.88, 90.12 | 60.26, 33.17 | out-out | out | 12.4664 | Saltbr-out | 11.937 | HRD-in | -67.53, -46.86 | 65.41, -6.49 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 167.16 | APE8-dihe-in | -108.02, 135.84 | APE8-rot-out | 185.16 | APE67-dihe-in | -61.26, -17.97 | -103.23, 9.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3291 | G43E,G47E | None | None | XRAY | 2.89 | 0.189 | 0.242 | B | 302.0 | 262.0 | 29 | 27 | 14 | 13 | [[6, 295]] | 1.0 | 6p8f | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.6e-83 | 288.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 2W9FB | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1342 | 12.7862 | None | -118.14, -62.46 | -136.13, 77.76 | -93.66, 151.53 | 25.95, 76.09 | 57.89, -6.88 | out-out | out | 13.7541 | Saltbr-out | 16.4265 | HRD-in | -86.38, -51.14 | 71.27, -31.56 | out-out-none | SNCoon | out-none | ActLoopNT-out | 7.2591 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 96.26 | APE8-rot-in | 295.94 | APE67-dihe-in | -52.44, -36.01 | -70.67, 6.23 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | G43E,G47E,T172F | None | None | XRAY | 2.85 | 0.229 | 0.3 | B | 306.0 | 261.0 | 27 | 27 | 21 | 6 | [[6, 295]] | 1.0 | 2w9f | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 1.5e-82 | 285.6 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 5FWKK | P11802 | 87 | 296 | 303.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -149.87, 165.29 | 70.66, 78.41 | -92.74, 75.44 | 300.44, 112.3 | 89.8, 154.06 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-out | -162.96, 58.72 | -62.47, -12.05 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6291 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -59.54, -39.45 | APE9-dihe-na | -48.41, 147.28 | APE8-dihe-in | -51.05, 115.81 | APE8-rot-in | 300.88 | APE67-dihe-out | -70.78, -11.85 | -94.22, 53.82 | APE12-dist-in | 8.3252 | APE11-dist-in | 10.4532 | APE10-dist-out | 15.0462 | APE9-dist-out | 12.8934 | None | None | None | EM | 3.9 | 999.0 | 999.0 | K | 310.0 | 210.0 | 81 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwk | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 5FWLK | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 48.1987 | 49.2195 | None | -149.04, 167.22 | 70.51, 77.19 | -94.69, 75.52 | 299.88, 116.65 | 91.08, 152.36 | in-out | in | 9.3607 | Saltbr-out | 7.7861 | HRD-out | -162.84, 59.23 | -64.44, -13.38 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.678 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -55.89, -38.57 | APE9-dihe-na | -48.82, 148.99 | APE8-dihe-in | -50.56, 116.76 | APE8-rot-in | 300.07 | APE67-dihe-out | -70.78, -12.08 | -94.78, 54.09 | APE12-dist-in | 8.4735 | APE11-dist-in | 10.5119 | APE10-dist-out | 15.1148 | APE9-dist-out | 12.9513 | None | None | None | EM | 9.0 | 999.0 | 999.0 | K | 310.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwl | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 5FWMK | P11802 | 5 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 55.9795 | 47.2536 | None | -148.61, 165.82 | 70.36, 77.56 | -94.31, 75.71 | 300.0, 116.31 | 91.42, 152.54 | in-out | in | 9.991 | Saltbr-out | 6.8718 | HRD-out | -162.91, 59.01 | -63.71, -13.05 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.6742 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -58.09, -39.57 | APE9-dihe-na | -48.6, 148.94 | APE8-dihe-in | -50.63, 116.26 | APE8-rot-in | 299.96 | APE67-dihe-out | -70.37, -11.94 | -94.86, 54.58 | APE12-dist-in | 8.3719 | APE11-dist-in | 10.5059 | APE10-dist-out | 15.0897 | APE9-dist-out | 13.0112 | None | None | None | EM | 8.0 | 999.0 | 999.0 | K | 310.0 | 291.0 | 0 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwm | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| CDK4 | CDK4_HUMAN | 5FWPK | P11802 | 87 | 295 | 303.0 | No_ligand | No_ligand | Inactive | None | 999.0 | 999.0 | None | -148.56, 165.77 | 70.31, 77.45 | -94.72, 75.34 | 299.55, 116.81 | 91.01, 152.89 | none-none | none | 999.0 | Saltbr-none | 999.0 | HRD-out | -162.95, 59.33 | -63.99, -13.24 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6157 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_iioo | APE10-dihe-na | -52.1, -37.6 | APE9-dihe-na | -48.76, 149.1 | APE8-dihe-in | -50.61, 116.92 | APE8-rot-in | 300.06 | APE67-dihe-out | -70.39, -11.86 | -95.32, 54.3 | APE12-dist-in | 8.5016 | APE11-dist-in | 10.4933 | APE10-dist-out | 15.1178 | APE9-dist-out | 12.9747 | None | None | None | EM | 7.2 | 999.0 | 999.0 | K | 310.0 | 209.0 | 81 | 27 | 27 | 0 | [[6, 295]] | 1.0 | 5fwp | Homo sapiens | CMGC_CDK4_HUMAN | CMGC | 2.7e-82 | 284.8 | 1.0 | 301.0 | 301.0 | 157 | 158 | 159 | 161 | 163 | 35 | 56 | 60 | 137 | 139 | 138 | 140.0 | 196 | 184 | 179 | 178 | 177 | 176 | 175 | 174 | 173 | 94 | Cyclin-dependent kinase 4 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|