| 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 | 8GUWA | O14965 | 506 | 388 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.4961 | 16.0011 | ABAminus | -116.4, -50.49 | -101.78, 116.28 | -108.31, 28.43 | 281.67, 88.04 | -72.88, -24.68 | out-out | out | 11.7793 | Saltbr-out | 6.9626 | HRD-out | -52.32, 144.81 | -137.03, 32.44 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.989 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.24 | APE8-dihe-in | -135.99, 160.18 | APE8-rot-out | 182.57 | APE67-dihe-in | -45.22, -30.26 | -102.15, -5.34 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 22.8351 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | A | 304.0 | 259.0 | 7 | 26 | 19 | 7 | [[133, 383]] | 1.0 | 8guw | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 | 8GUWB | O14965 | 507 | 390 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.2903 | 15.6844 | ABAminus | -103.46, -56.86 | -84.59, 164.71 | -149.11, 43.73 | 280.55, 102.4 | -37.77, -51.78 | out-out | out | 11.2219 | Saltbr-out | 10.1241 | HRD-out | -88.2, 114.65 | -57.32, -35.01 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 120.59 | APE8-rot-out | 188.97 | APE67-dihe-out | 79.95, -4.59 | -68.08, -173.97 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | B | 304.0 | 250.0 | 13 | 26 | 13 | 13 | [[133, 383]] | 1.0 | 8guw | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 | 8GUWC | O14965 | 506 | 388 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.7941 | 16.123 | ABAminus | -112.39, -57.42 | -66.39, 155.71 | -143.31, 23.7 | 266.43, 102.44 | -50.18, -24.58 | out-out | out | 11.5307 | Saltbr-out | 6.1466 | HRD-out | -98.37, 113.81 | -121.54, 28.92 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | 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, -46.16 | APE8-rot-in | 299.01 | APE67-dihe-in | -63.17, -8.64 | -58.96, -54.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | C | 304.0 | 248.0 | 18 | 26 | 12 | 14 | [[133, 383]] | 1.0 | 8guw | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 | 8GUWA | O14965 | 506 | 388 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.4961 | 16.0011 | ABAminus | -116.4, -50.49 | -101.78, 116.28 | -108.31, 28.43 | 281.67, 88.04 | -72.88, -24.68 | out-out | out | 11.7793 | Saltbr-out | 6.9626 | HRD-out | -52.32, 144.81 | -137.03, 32.44 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.989 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.24 | APE8-dihe-in | -135.99, 160.18 | APE8-rot-out | 182.57 | APE67-dihe-in | -45.22, -30.26 | -102.15, -5.34 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 22.8351 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | A | 304.0 | 259.0 | 7 | 26 | 19 | 7 | [[133, 383]] | 1.0 | 8guw | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 | 8GUWB | O14965 | 507 | 390 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.2903 | 15.6844 | ABAminus | -103.46, -56.86 | -84.59, 164.71 | -149.11, 43.73 | 280.55, 102.4 | -37.77, -51.78 | out-out | out | 11.2219 | Saltbr-out | 10.1241 | HRD-out | -88.2, 114.65 | -57.32, -35.01 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 120.59 | APE8-rot-out | 188.97 | APE67-dihe-out | 79.95, -4.59 | -68.08, -173.97 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | B | 304.0 | 250.0 | 13 | 26 | 13 | 13 | [[133, 383]] | 1.0 | 8guw | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 | 8GUWC | O14965 | 506 | 388 | 403.0 | ADP:60501 | ATPlike | Inactive | DFGin | 5.7941 | 16.123 | ABAminus | -112.39, -57.42 | -66.39, 155.71 | -143.31, 23.7 | 266.43, 102.44 | -50.18, -24.58 | out-out | out | 11.5307 | Saltbr-out | 6.1466 | HRD-out | -98.37, 113.81 | -121.54, 28.92 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | 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, -46.16 | APE8-rot-in | 299.01 | APE67-dihe-in | -63.17, -8.64 | -58.96, -54.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C290A,C393A | None | None | XRAY | 2.7 | 0.216 | 0.258 | C | 304.0 | 248.0 | 18 | 26 | 12 | 14 | [[133, 383]] | 1.0 | 8guw | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 1.2e-78 | 270.0 | 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 |
|---|