| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | AURKA | AURKA_HUMAN | 8C14A | O14965 | 126 | 389 | 403.0 | ADP:417,T5L:418,T0L:424 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.6307 | 14.7937 | BLAminus | -132.92, -178.64 | 59.29, 78.11 | -87.91, 19.69 | 280.37, 75.08 | -49.0, -40.94 | in-in | in | 9.3228 | Saltbr-in | 2.7489 | HRD-in | -74.47, -52.26 | 68.72, 1.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8228 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -125.05, 2.89 | APE9-dihe-na | -76.04, 173.54 | APE8-dihe-in | -47.98, 133.45 | APE8-rot-in | 311.24 | APE67-dihe-in | -48.21, -32.08 | -100.5, -9.07 | APE12-dist-in | 9.0819 | APE11-dist-in | 13.0305 | APE10-dist-out | 15.5933 | APE9-dist-out | 10.8925 | None | TPO288 | TPO288 | XRAY | 1.93 | 0.182 | 0.194 | A | 272.0 | 264.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 8c14 | CAMK_AURKA_HUMAN | CAMK | 6.4e-80 | 274.1 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C15A | O14965 | 126 | 388 | 403.0 | ADP:401,T4C:404,T5L:405 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.6579 | 14.941 | BLAminus | -128.39, 176.76 | 57.21, 80.94 | -90.54, 19.4 | 280.16, 77.64 | -46.89, -42.14 | in-in | in | 9.3562 | Saltbr-in | 2.9117 | HRD-in | -70.87, -48.88 | 65.09, -5.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8481 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -170.75 | APE8-dihe-in | -66.3, 161.07 | APE8-rot-out | 73.39 | APE67-dihe-in | -37.43, -35.12 | -85.37, -6.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.144 | C290A | None | None | XRAY | 2.41 | 0.199 | 0.207 | A | 265.0 | 259.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c15 | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1FA | O14965 | 126 | 388 | 403.0 | ADP:401,T5L:409,T2O:417 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.4716 | 14.6337 | BLAminus | -130.51, -175.69 | 56.68, 77.24 | -89.7, 19.52 | 279.6, 79.65 | -52.03, -32.93 | in-in | in | 9.3024 | Saltbr-in | 2.8107 | HRD-in | -73.98, -48.91 | 69.8, -1.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8765 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -138.04 | APE8-dihe-in | -67.54, 164.12 | APE8-rot-out | 77.8 | APE67-dihe-in | -44.07, -35.33 | -85.42, 0.74 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.5223 | C290A | None | None | XRAY | 1.924 | 0.206 | 0.234 | A | 265.0 | 258.0 | 5 | 26 | 21 | 5 | [[133, 383]] | 1.0 | 8c1f | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1IA | O14965 | 126 | 388 | 403.0 | ADP:401,T1L:404,T5L:405 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.5241 | 14.838 | BLAminus | -129.39, -179.52 | 57.08, 78.15 | -89.88, 20.87 | 280.11, 76.95 | -51.9, -37.66 | in-in | in | 9.3549 | Saltbr-in | 2.9056 | HRD-in | -72.05, -49.31 | 67.09, -4.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8215 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -172.24 | APE8-dihe-in | -59.73, 161.33 | APE8-rot-out | 79.24 | APE67-dihe-in | -39.82, -36.32 | -87.05, -1.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3413 | C290A | None | None | XRAY | 2.81 | 0.213 | 0.234 | A | 265.0 | 260.0 | 3 | 26 | 23 | 3 | [[133, 383]] | 1.0 | 8c1i | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1DA | O14965 | 127 | 388 | 403.0 | T2F:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.5903 | 14.7701 | BLAminus | -129.39, 179.64 | 57.3, 80.97 | -92.88, 23.53 | 280.13, 79.47 | -56.16, -33.44 | in-in | in | 9.3061 | Saltbr-in | 2.9364 | HRD-in | -72.1, -50.49 | 67.69, -1.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7964 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 144.85 | APE8-dihe-in | -64.26, 154.27 | APE8-rot-out | 88.6 | APE67-dihe-in | -39.49, -36.75 | -82.32, -6.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.088 | C290A | None | None | XRAY | 2.115 | 0.212 | 0.238 | A | 265.0 | 259.0 | 3 | 26 | 23 | 3 | [[133, 383]] | 1.0 | 8c1d | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1GA | O14965 | 127 | 388 | 403.0 | T3I:401,ADP:402,T5L:406 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.5437 | 14.882 | BLAminus | -128.11, -179.39 | 58.87, 76.11 | -85.79, 22.41 | 279.68, 78.85 | -51.87, -42.67 | in-in | in | 9.2229 | Saltbr-in | 2.92 | HRD-in | -78.13, -46.93 | 64.28, -1.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8594 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -158.88 | APE8-dihe-in | -70.7, 159.97 | APE8-rot-out | 74.34 | APE67-dihe-in | -36.07, -37.71 | -84.84, -3.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3547 | C290A | None | None | XRAY | 1.96 | 0.2 | 0.225 | A | 265.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c1g | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1HA | O14965 | 127 | 388 | 403.0 | T3U:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.6033 | 14.806 | BLAminus | -133.2, 171.3 | 67.89, 80.13 | -90.96, 20.95 | 279.09, 80.15 | -47.86, -43.49 | in-in | in | 9.2738 | Saltbr-in | 3.0016 | HRD-in | -69.34, -50.65 | 67.03, -6.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8653 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -157.54 | APE8-dihe-in | -70.83, 158.42 | APE8-rot-out | 74.14 | APE67-dihe-in | -36.91, -39.82 | -81.98, -5.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.5277 | C290A | None | None | XRAY | 2.233 | 0.213 | 0.245 | A | 265.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c1h | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1KA | O14965 | 127 | 388 | 403.0 | T4O:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.3967 | 14.7974 | BLAminus | -136.92, -175.3 | 58.28, 79.92 | -93.28, 13.0 | 269.57, 89.35 | -50.4, -38.71 | in-in | in | 9.6032 | Saltbr-in | 3.1142 | HRD-in | -64.38, -56.58 | 69.39, -9.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0088 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | 39.31, -114.48 | APE9-dihe-na | 117.85, -67.49 | APE8-dihe-in | -136.08, 128.66 | APE8-rot-out | 19.12 | APE67-dihe-in | -37.03, -29.23 | -73.31, -14.52 | APE12-dist-in | 9.2582 | APE11-dist-in | 12.9138 | APE10-dist-out | 12.6881 | APE9-dist-out | 10.8352 | C290A | None | None | XRAY | 2.43 | 0.219 | 0.242 | A | 273.0 | 262.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 8c1k | CAMK_AURKA_HUMAN | CAMK | 8e-79 | 270.5 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CAMK | AURKA | AURKA_HUMAN | 8C14A | O14965 | 126 | 389 | 403.0 | ADP:417,T5L:418,T0L:424 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.6307 | 14.7937 | BLAminus | -132.92, -178.64 | 59.29, 78.11 | -87.91, 19.69 | 280.37, 75.08 | -49.0, -40.94 | in-in | in | 9.3228 | Saltbr-in | 2.7489 | HRD-in | -74.47, -52.26 | 68.72, 1.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8228 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -125.05, 2.89 | APE9-dihe-na | -76.04, 173.54 | APE8-dihe-in | -47.98, 133.45 | APE8-rot-in | 311.24 | APE67-dihe-in | -48.21, -32.08 | -100.5, -9.07 | APE12-dist-in | 9.0819 | APE11-dist-in | 13.0305 | APE10-dist-out | 15.5933 | APE9-dist-out | 10.8925 | None | TPO288 | TPO288 | XRAY | 1.93 | 0.182 | 0.194 | A | 272.0 | 264.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 8c14 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 6.4e-80 | 274.1 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C15A | O14965 | 126 | 388 | 403.0 | ADP:401,T4C:404,T5L:405 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.6579 | 14.941 | BLAminus | -128.39, 176.76 | 57.21, 80.94 | -90.54, 19.4 | 280.16, 77.64 | -46.89, -42.14 | in-in | in | 9.3562 | Saltbr-in | 2.9117 | HRD-in | -70.87, -48.88 | 65.09, -5.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8481 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -170.75 | APE8-dihe-in | -66.3, 161.07 | APE8-rot-out | 73.39 | APE67-dihe-in | -37.43, -35.12 | -85.37, -6.68 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.144 | C290A | None | None | XRAY | 2.41 | 0.199 | 0.207 | A | 265.0 | 259.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c15 | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1FA | O14965 | 126 | 388 | 403.0 | ADP:401,T5L:409,T2O:417 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.4716 | 14.6337 | BLAminus | -130.51, -175.69 | 56.68, 77.24 | -89.7, 19.52 | 279.6, 79.65 | -52.03, -32.93 | in-in | in | 9.3024 | Saltbr-in | 2.8107 | HRD-in | -73.98, -48.91 | 69.8, -1.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8765 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -138.04 | APE8-dihe-in | -67.54, 164.12 | APE8-rot-out | 77.8 | APE67-dihe-in | -44.07, -35.33 | -85.42, 0.74 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.5223 | C290A | None | None | XRAY | 1.924 | 0.206 | 0.234 | A | 265.0 | 258.0 | 5 | 26 | 21 | 5 | [[133, 383]] | 1.0 | 8c1f | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1IA | O14965 | 126 | 388 | 403.0 | ADP:401,T1L:404,T5L:405 | ATPlike,Allosteric,Allosteric | Inactive | DFGin | 5.5241 | 14.838 | BLAminus | -129.39, -179.52 | 57.08, 78.15 | -89.88, 20.87 | 280.11, 76.95 | -51.9, -37.66 | in-in | in | 9.3549 | Saltbr-in | 2.9056 | HRD-in | -72.05, -49.31 | 67.09, -4.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8215 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -172.24 | APE8-dihe-in | -59.73, 161.33 | APE8-rot-out | 79.24 | APE67-dihe-in | -39.82, -36.32 | -87.05, -1.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3413 | C290A | None | None | XRAY | 2.81 | 0.213 | 0.234 | A | 265.0 | 260.0 | 3 | 26 | 23 | 3 | [[133, 383]] | 1.0 | 8c1i | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1DA | O14965 | 127 | 388 | 403.0 | T2F:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.5903 | 14.7701 | BLAminus | -129.39, 179.64 | 57.3, 80.97 | -92.88, 23.53 | 280.13, 79.47 | -56.16, -33.44 | in-in | in | 9.3061 | Saltbr-in | 2.9364 | HRD-in | -72.1, -50.49 | 67.69, -1.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7964 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 144.85 | APE8-dihe-in | -64.26, 154.27 | APE8-rot-out | 88.6 | APE67-dihe-in | -39.49, -36.75 | -82.32, -6.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.088 | C290A | None | None | XRAY | 2.115 | 0.212 | 0.238 | A | 265.0 | 259.0 | 3 | 26 | 23 | 3 | [[133, 383]] | 1.0 | 8c1d | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1GA | O14965 | 127 | 388 | 403.0 | T3I:401,ADP:402,T5L:406 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.5437 | 14.882 | BLAminus | -128.11, -179.39 | 58.87, 76.11 | -85.79, 22.41 | 279.68, 78.85 | -51.87, -42.67 | in-in | in | 9.2229 | Saltbr-in | 2.92 | HRD-in | -78.13, -46.93 | 64.28, -1.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8594 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -158.88 | APE8-dihe-in | -70.7, 159.97 | APE8-rot-out | 74.34 | APE67-dihe-in | -36.07, -37.71 | -84.84, -3.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.3547 | C290A | None | None | XRAY | 1.96 | 0.2 | 0.225 | A | 265.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c1g | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1HA | O14965 | 127 | 388 | 403.0 | T3U:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.6033 | 14.806 | BLAminus | -133.2, 171.3 | 67.89, 80.13 | -90.96, 20.95 | 279.09, 80.15 | -47.86, -43.49 | in-in | in | 9.2738 | Saltbr-in | 3.0016 | HRD-in | -69.34, -50.65 | 67.03, -6.54 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8653 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -157.54 | APE8-dihe-in | -70.83, 158.42 | APE8-rot-out | 74.14 | APE67-dihe-in | -36.91, -39.82 | -81.98, -5.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.5277 | C290A | None | None | XRAY | 2.233 | 0.213 | 0.245 | A | 265.0 | 258.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 8c1h | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 7.2e-79 | 270.6 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| CAMK | AURKA | AURKA_HUMAN | 8C1KA | O14965 | 127 | 388 | 403.0 | T4O:401,ADP:402,T5L:405 | Allosteric,ATPlike,Allosteric | Inactive | DFGin | 5.3967 | 14.7974 | BLAminus | -136.92, -175.3 | 58.28, 79.92 | -93.28, 13.0 | 269.57, 89.35 | -50.4, -38.71 | in-in | in | 9.6032 | Saltbr-in | 3.1142 | HRD-in | -64.38, -56.58 | 69.39, -9.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0088 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | 39.31, -114.48 | APE9-dihe-na | 117.85, -67.49 | APE8-dihe-in | -136.08, 128.66 | APE8-rot-out | 19.12 | APE67-dihe-in | -37.03, -29.23 | -73.31, -14.52 | APE12-dist-in | 9.2582 | APE11-dist-in | 12.9138 | APE10-dist-out | 12.6881 | APE9-dist-out | 10.8352 | C290A | None | None | XRAY | 2.43 | 0.219 | 0.242 | A | 273.0 | 262.0 | 0 | 26 | 26 | 0 | [[133, 383]] | 1.0 | 8c1k | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8e-79 | 270.5 | 1.0 | 256.0 | 256.0 | 273 | 274 | 275 | 277 | 279 | 162 | 181 | 185 | 253 | 255 | 254 | 256.0 | 311 | 299 | 294 | 293 | 292 | 291 | 290 | 289 | 288 | 211 | Aurora kinase A |
| 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 |
|---|