| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK1 | CDK1_HUMAN | 5LQFA | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6739 | 14.6827 | BLAminus | -138.15, 169.23 | 61.1, 76.26 | -94.59, 25.98 | 280.42, 81.48 | -71.64, -17.71 | in-in | in | 9.1825 | Saltbr-in | 2.5634 | HRD-in | -66.11, -52.21 | 72.94, -4.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8005 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -99.53, 148.79 | APE8-rot-out | 178.64 | APE67-dihe-in | -64.53, -20.89 | -112.79, -9.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2044 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | A | 302.0 | 284.0 | 5 | 28 | 23 | 5 | [[4, 287]] | 1.0 | 5lqf | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 5LQFD | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6939 | 14.65 | BLAminus | -133.18, 173.28 | 57.88, 74.37 | -88.85, 25.15 | 291.04, 79.94 | -73.26, -15.44 | in-in | in | 9.2459 | Saltbr-in | 2.675 | HRD-in | -65.87, -50.17 | 70.5, -11.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7812 | 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, 141.65 | APE8-rot-out | 220.2 | APE67-dihe-in | -64.07, -22.46 | -124.27, -22.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | D | 302.0 | 282.0 | 7 | 28 | 21 | 7 | [[4, 287]] | 1.0 | 5lqf | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | CDK1 | CDK1_HUMAN | 5LQFA | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6739 | 14.6827 | BLAminus | -138.15, 169.23 | 61.1, 76.26 | -94.59, 25.98 | 280.42, 81.48 | -71.64, -17.71 | in-in | in | 9.1825 | Saltbr-in | 2.5634 | HRD-in | -66.11, -52.21 | 72.94, -4.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8005 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -99.53, 148.79 | APE8-rot-out | 178.64 | APE67-dihe-in | -64.53, -20.89 | -112.79, -9.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.2044 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | A | 302.0 | 284.0 | 5 | 28 | 23 | 5 | [[4, 287]] | 1.0 | 5lqf | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK1 | CDK1_HUMAN | 5LQFD | P06493 | 1 | 289 | 297.0 | 4SP:60301 | Type1 | Inactive | DFGin | 7.6939 | 14.65 | BLAminus | -133.18, 173.28 | 57.88, 74.37 | -88.85, 25.15 | 291.04, 79.94 | -73.26, -15.44 | in-in | in | 9.2459 | Saltbr-in | 2.675 | HRD-in | -65.87, -50.17 | 70.5, -11.69 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7812 | 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, 141.65 | APE8-rot-out | 220.2 | APE67-dihe-in | -64.07, -22.46 | -124.27, -22.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.06 | 0.2 | 0.254 | D | 302.0 | 282.0 | 7 | 28 | 21 | 7 | [[4, 287]] | 1.0 | 5lqf | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| 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 |
|---|