| 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 | 6VPLA | O14965 | 7 | 389 | 403.0 | ANP:60602,R7D:60606 | ATPlike,Allosteric | Inactive | DFGin | 5.4712 | 15.7016 | BLAminus | -128.47, 179.47 | 64.6, 81.81 | -95.02, 21.48 | 283.88, 78.68 | -63.38, -17.61 | out-out | out | 10.4098 | Saltbr-out | 4.4992 | HRD-in | -80.46, -54.34 | 74.63, 5.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9665 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -88.44, -6.25 | APE9-dihe-na | -62.06, -23.8 | APE8-dihe-in | -134.19, 108.37 | APE8-rot-in | 311.29 | APE67-dihe-in | -61.89, -28.27 | -86.38, -9.29 | APE12-dist-out | 25.8944 | APE11-dist-out | 21.3249 | APE10-dist-out | 23.1598 | APE9-dist-out | 28.0042 | None | TPO288 | TPO288 | XRAY | 1.86 | 0.169 | 0.201 | A | 292.0 | 262.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 6vpl | CAMK_AURKA_HUMAN | CAMK | 8.4e-80 | 273.7 | 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 | 6VPLB | O14965 | 7 | 389 | 403.0 | ANP:60601,R7D:60605 | ATPlike,Allosteric | Inactive | DFGin | 5.5835 | 16.0448 | BLAminus | -127.84, 176.75 | 65.51, 80.18 | -93.8, 23.88 | 286.09, 77.69 | -67.93, -15.19 | out-out | out | 10.6562 | Saltbr-out | 4.5577 | HRD-in | -79.97, -52.06 | 71.02, 4.97 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9438 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -84.27, -7.56 | APE9-dihe-na | -59.65, -24.89 | APE8-dihe-in | -135.15, 99.87 | APE8-rot-in | 315.26 | APE67-dihe-in | -58.26, -30.91 | -76.18, -13.07 | APE12-dist-out | 25.8592 | APE11-dist-out | 21.4014 | APE10-dist-out | 23.5627 | APE9-dist-out | 28.2448 | None | TPO288 | TPO288 | XRAY | 1.86 | 0.169 | 0.201 | B | 292.0 | 262.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 6vpl | CAMK_AURKA_HUMAN | CAMK | 8.4e-80 | 273.7 | 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 | 6VPLA | O14965 | 7 | 389 | 403.0 | ANP:60602,R7D:60606 | ATPlike,Allosteric | Inactive | DFGin | 5.4712 | 15.7016 | BLAminus | -128.47, 179.47 | 64.6, 81.81 | -95.02, 21.48 | 283.88, 78.68 | -63.38, -17.61 | out-out | out | 10.4098 | Saltbr-out | 4.4992 | HRD-in | -80.46, -54.34 | 74.63, 5.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9665 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -88.44, -6.25 | APE9-dihe-na | -62.06, -23.8 | APE8-dihe-in | -134.19, 108.37 | APE8-rot-in | 311.29 | APE67-dihe-in | -61.89, -28.27 | -86.38, -9.29 | APE12-dist-out | 25.8944 | APE11-dist-out | 21.3249 | APE10-dist-out | 23.1598 | APE9-dist-out | 28.0042 | None | TPO288 | TPO288 | XRAY | 1.86 | 0.169 | 0.201 | A | 292.0 | 262.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 6vpl | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.4e-80 | 273.7 | 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 | 6VPLB | O14965 | 7 | 389 | 403.0 | ANP:60601,R7D:60605 | ATPlike,Allosteric | Inactive | DFGin | 5.5835 | 16.0448 | BLAminus | -127.84, 176.75 | 65.51, 80.18 | -93.8, 23.88 | 286.09, 77.69 | -67.93, -15.19 | out-out | out | 10.6562 | Saltbr-out | 4.5577 | HRD-in | -79.97, -52.06 | 71.02, 4.97 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9438 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -84.27, -7.56 | APE9-dihe-na | -59.65, -24.89 | APE8-dihe-in | -135.15, 99.87 | APE8-rot-in | 315.26 | APE67-dihe-in | -58.26, -30.91 | -76.18, -13.07 | APE12-dist-out | 25.8592 | APE11-dist-out | 21.4014 | APE10-dist-out | 23.5627 | APE9-dist-out | 28.2448 | None | TPO288 | TPO288 | XRAY | 1.86 | 0.169 | 0.201 | B | 292.0 | 262.0 | 4 | 26 | 22 | 4 | [[133, 383]] | 1.0 | 6vpl | Homo sapiens | CAMK_AURKA_HUMAN | CAMK | 8.4e-80 | 273.7 | 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 |
|---|