| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AURKB | AF-Q96GD4-K1A | Q96GD4 | 69 | 335 | 344.0 | No_ligand | No_ligand | Active | DFGin | 5.7802 | 15.0258 | BLAminus | -127.0, 176.5 | 57.8, 71.92 | -79.61, 19.08 | 285.14, 75.28 | -59.65, -34.69 | in-in | in | 9.4814 | Saltbr-in | 2.7035 | HRD-in | -78.88, -50.69 | 66.99, 11.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0049 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.14, 164.25 | APE9-dihe-na | 101.07, -163.18 | APE8-dihe-in | -106.28, 136.6 | APE8-rot-in | 304.12 | APE67-dihe-in | -69.73, -13.69 | -45.42, -54.05 | APE12-dist-in | 8.5723 | APE11-dist-in | 11.3886 | APE10-dist-in | 5.657 | APE9-dist-in | 3.574 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[77, 327]] | 1.0 | AF-Q96GD4-K1 | CAMK_AURKB_HUMAN | CAMK | 4.2e-80 | 274.7 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| AURKB | AF-Q96GD4-K3A | Q96GD4 | 69 | 335 | 344.0 | No_ligand | No_ligand | Active | DFGin | 5.5768 | 14.9916 | BLAminus | -124.01, 179.54 | 50.32, 77.12 | -79.4, 14.41 | 288.62, 84.9 | -59.82, -34.0 | out-in | out | 10.0784 | Saltbr-in | 2.759 | HRD-in | -78.41, -50.15 | 69.96, -4.31 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9549 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -156.38, 153.11 | APE9-dihe-na | 117.94, -172.26 | APE8-dihe-in | -95.05, 139.82 | APE8-rot-in | 304.53 | APE67-dihe-in | -69.06, -14.73 | -44.88, -56.87 | APE12-dist-in | 9.0431 | APE11-dist-in | 11.5726 | APE10-dist-in | 5.8355 | APE9-dist-in | 3.9184 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[77, 327]] | 1.0 | AF-Q96GD4-K3 | CAMK_AURKB_HUMAN | CAMK | 4.2e-80 | 274.7 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| AURKB | 4AF3A | Q96GD4 | 70 | 338 | 344.0 | VX6:500 | Type1 | Inactive | DFGinter | 6.2261 | 9.0798 | None | -112.4, 112.13 | -127.45, 99.79 | -141.88, 168.72 | 285.68, 83.55 | 155.44, 999.0 | out-out | out | 12.1796 | Saltbr-out | 9.9295 | HRD-out | -154.61, 151.72 | -150.08, 147.62 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -62.83, -29.23 | 999.0, -55.56 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.75 | 0.208 | 0.264 | A | 292.0 | 253.0 | 16 | 26 | 10 | 16 | [[77, 327]] | 1.0 | 4af3 | CAMK_AURKB_HUMAN | CAMK | 3.6e-80 | 274.9 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AURKB | AURKB_HUMAN | AF-Q96GD4-K1A | Q96GD4 | 69 | 335 | 344.0 | No_ligand | No_ligand | Active | DFGin | 5.7802 | 15.0258 | BLAminus | -127.0, 176.5 | 57.8, 71.92 | -79.61, 19.08 | 285.14, 75.28 | -59.65, -34.69 | in-in | in | 9.4814 | Saltbr-in | 2.7035 | HRD-in | -78.88, -50.69 | 66.99, 11.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0049 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -157.14, 164.25 | APE9-dihe-na | 101.07, -163.18 | APE8-dihe-in | -106.28, 136.6 | APE8-rot-in | 304.12 | APE67-dihe-in | -69.73, -13.69 | -45.42, -54.05 | APE12-dist-in | 8.5723 | APE11-dist-in | 11.3886 | APE10-dist-in | 5.657 | APE9-dist-in | 3.574 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[77, 327]] | 1.0 | AF-Q96GD4-K1 | Homo sapiens | CAMK_AURKB_HUMAN | CAMK | 4.2e-80 | 274.7 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| AURKB | AURKB_HUMAN | AF-Q96GD4-K3A | Q96GD4 | 69 | 335 | 344.0 | No_ligand | No_ligand | Active | DFGin | 5.5768 | 14.9916 | BLAminus | -124.01, 179.54 | 50.32, 77.12 | -79.4, 14.41 | 288.62, 84.9 | -59.82, -34.0 | out-in | out | 10.0784 | Saltbr-in | 2.759 | HRD-in | -78.41, -50.15 | 69.96, -4.31 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9549 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -156.38, 153.11 | APE9-dihe-na | 117.94, -172.26 | APE8-dihe-in | -95.05, 139.82 | APE8-rot-in | 304.53 | APE67-dihe-in | -69.06, -14.73 | -44.88, -56.87 | APE12-dist-in | 9.0431 | APE11-dist-in | 11.5726 | APE10-dist-in | 5.8355 | APE9-dist-in | 3.9184 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 267.0 | 267.0 | 0 | 26 | 26 | 0 | [[77, 327]] | 1.0 | AF-Q96GD4-K3 | Homo sapiens | CAMK_AURKB_HUMAN | CAMK | 4.2e-80 | 274.7 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| AURKB | AURKB_HUMAN | 4AF3A | Q96GD4 | 70 | 338 | 344.0 | VX6:500 | Type1 | Inactive | DFGinter | 6.2261 | 9.0798 | None | -112.4, 112.13 | -127.45, 99.79 | -141.88, 168.72 | 285.68, 83.55 | 155.44, 999.0 | out-out | out | 12.1796 | Saltbr-out | 9.9295 | HRD-out | -154.61, 151.72 | -150.08, 147.62 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -62.83, -29.23 | 999.0, -55.56 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.75 | 0.208 | 0.264 | A | 292.0 | 253.0 | 16 | 26 | 10 | 16 | [[77, 327]] | 1.0 | 4af3 | Homo sapiens | CAMK_AURKB_HUMAN | CAMK | 3.6e-80 | 274.9 | 1.0 | 256.0 | 256.0 | 217 | 218 | 219 | 221 | 223 | 106 | 125 | 129 | 197 | 199 | 198 | 200.0 | 255 | 243 | 238 | 237 | 236 | 235 | 234 | 233 | 232 | 155 | Aurora kinase B |
| 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 |
|---|