| 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 | CDK2 | CDK2_HUMAN | 8FOWA | P24941 | 3 | 298 | 298.0 | 1QK:303,7TW:304 | Type1,Type3 | Inactive | DFGin | 9.6034 | 14.6837 | BLBminus | -142.98, 169.57 | 62.58, 46.02 | -58.43, 140.27 | 285.17, 73.33 | -80.44, 47.06 | out-out | out | 16.7928 | Saltbr-out | 17.8737 | HRD-in | -84.61, -56.26 | 85.39, -14.19 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5386 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -79.82, 130.93 | APE9-dihe-na | -70.75, 142.04 | APE8-dihe-in | -94.51, 122.37 | APE8-rot-in | 301.96 | APE67-dihe-in | -61.63, -23.3 | -100.31, -0.74 | APE12-dist-none | 999.0 | APE11-dist-out | 19.4045 | APE10-dist-out | 20.6218 | APE9-dist-out | 10.975 | None | None | None | XRAY | 1.6 | 0.205 | 0.221 | A | 298.0 | 275.0 | 21 | 28 | 19 | 9 | [[4, 286]] | 1.0 | 8fow | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 8FP0A | P24941 | 2 | 298 | 298.0 | RRC:303,7TW:304 | Type1,Type3 | Inactive | DFGin | 9.3912 | 14.9477 | BLBminus | -136.63, 174.45 | 61.03, 42.96 | -56.03, 146.23 | 280.88, 71.31 | -87.4, 49.07 | out-out | out | 16.0019 | Saltbr-out | 16.4922 | HRD-in | -87.02, -54.08 | 75.17, -13.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5944 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 140.67 | APE9-dihe-na | -85.45, 141.48 | APE8-dihe-in | -84.73, 120.79 | APE8-rot-in | 296.72 | APE67-dihe-in | -62.27, -23.72 | -95.92, -2.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 20.3227 | APE9-dist-out | 10.9674 | None | None | None | XRAY | 1.6 | 0.213 | 0.24 | A | 298.0 | 274.0 | 23 | 28 | 17 | 11 | [[4, 286]] | 1.0 | 8fp0 | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 7RWFA | P24941 | 1 | 298 | 298.0 | 7TW:60302 | Type3 | Inactive | DFGin | 9.4748 | 14.8514 | BLBminus | -140.11, 174.11 | 55.01, 51.54 | -61.58, 141.11 | 278.46, 73.02 | -87.62, 59.54 | out-out | out | 16.1894 | Saltbr-out | 17.4388 | HRD-in | -86.88, -54.95 | 86.13, -18.41 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.866 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -106.87, 114.93 | APE9-dihe-na | -103.6, 143.12 | APE8-dihe-in | -86.24, 120.37 | APE8-rot-in | 298.57 | APE67-dihe-in | -60.28, -26.78 | -101.29, -1.63 | APE12-dist-out | 21.8541 | APE11-dist-out | 16.0263 | APE10-dist-out | 19.464 | APE9-dist-out | 10.9633 | None | None | None | XRAY | 1.5 | 0.193 | 0.209 | A | 299.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7rwf | CMGC_CDK2_HUMAN | CMGC | 6.4e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| 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 | CDK2 | CDK2_HUMAN | 8FOWA | P24941 | 3 | 298 | 298.0 | 1QK:303,7TW:304 | Type1,Type3 | Inactive | DFGin | 9.6034 | 14.6837 | BLBminus | -142.98, 169.57 | 62.58, 46.02 | -58.43, 140.27 | 285.17, 73.33 | -80.44, 47.06 | out-out | out | 16.7928 | Saltbr-out | 17.8737 | HRD-in | -84.61, -56.26 | 85.39, -14.19 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5386 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -79.82, 130.93 | APE9-dihe-na | -70.75, 142.04 | APE8-dihe-in | -94.51, 122.37 | APE8-rot-in | 301.96 | APE67-dihe-in | -61.63, -23.3 | -100.31, -0.74 | APE12-dist-none | 999.0 | APE11-dist-out | 19.4045 | APE10-dist-out | 20.6218 | APE9-dist-out | 10.975 | None | None | None | XRAY | 1.6 | 0.205 | 0.221 | A | 298.0 | 275.0 | 21 | 28 | 19 | 9 | [[4, 286]] | 1.0 | 8fow | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 8FP0A | P24941 | 2 | 298 | 298.0 | RRC:303,7TW:304 | Type1,Type3 | Inactive | DFGin | 9.3912 | 14.9477 | BLBminus | -136.63, 174.45 | 61.03, 42.96 | -56.03, 146.23 | 280.88, 71.31 | -87.4, 49.07 | out-out | out | 16.0019 | Saltbr-out | 16.4922 | HRD-in | -87.02, -54.08 | 75.17, -13.79 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.5944 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 140.67 | APE9-dihe-na | -85.45, 141.48 | APE8-dihe-in | -84.73, 120.79 | APE8-rot-in | 296.72 | APE67-dihe-in | -62.27, -23.72 | -95.92, -2.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 20.3227 | APE9-dist-out | 10.9674 | None | None | None | XRAY | 1.6 | 0.213 | 0.24 | A | 298.0 | 274.0 | 23 | 28 | 17 | 11 | [[4, 286]] | 1.0 | 8fp0 | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 7RWFA | P24941 | 1 | 298 | 298.0 | 7TW:60302 | Type3 | Inactive | DFGin | 9.4748 | 14.8514 | BLBminus | -140.11, 174.11 | 55.01, 51.54 | -61.58, 141.11 | 278.46, 73.02 | -87.62, 59.54 | out-out | out | 16.1894 | Saltbr-out | 17.4388 | HRD-in | -86.88, -54.95 | 86.13, -18.41 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.866 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -106.87, 114.93 | APE9-dihe-na | -103.6, 143.12 | APE8-dihe-in | -86.24, 120.37 | APE8-rot-in | 298.57 | APE67-dihe-in | -60.28, -26.78 | -101.29, -1.63 | APE12-dist-out | 21.8541 | APE11-dist-out | 16.0263 | APE10-dist-out | 19.464 | APE9-dist-out | 10.9633 | None | None | None | XRAY | 1.5 | 0.193 | 0.209 | A | 299.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 7rwf | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.4e-90 | 307.8 | 1.0 | 301.0 | 301.0 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127.0 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| 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 |
|---|