| 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 | 1H1PA | P24941 | 1 | 296 | 298.0 | CMG:61298 | Type1 | Active | DFGin | 6.4993 | 15.1175 | BLAminus | -138.92, -178.75 | 49.09, 86.95 | -98.56, 13.99 | 278.53, 73.35 | -55.78, -28.79 | in-in | in | 8.4539 | Saltbr-in | 2.7215 | HRD-in | -77.48, -54.23 | 72.33, 13.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8866 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.77, 156.24 | APE9-dihe-na | 69.07, 128.03 | APE8-dihe-in | -49.71, 132.1 | APE8-rot-in | 291.9 | APE67-dihe-in | -61.95, -27.18 | -48.08, -36.47 | APE12-dist-in | 13.0523 | APE11-dist-in | 10.0523 | APE10-dist-in | 7.2348 | APE9-dist-in | 3.1622 | None | TPO160 | TPO160 | XRAY | 2.1 | 0.222 | 0.258 | A | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1p | CMGC_CDK2_HUMAN | CMGC | 6.8e-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 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1PC | P24941 | 1 | 296 | 298.0 | CMG:61298 | Type1 | Active | DFGin | 6.5662 | 15.1531 | BLAminus | -139.68, 176.89 | 52.0, 85.54 | -98.31, 22.42 | 285.04, 73.37 | -70.33, -22.32 | in-in | in | 8.5886 | Saltbr-in | 2.7814 | HRD-in | -79.75, -57.12 | 71.34, 16.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9334 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.98, 156.69 | APE9-dihe-na | 68.49, 129.02 | APE8-dihe-in | -58.75, 132.04 | APE8-rot-in | 288.32 | APE67-dihe-in | -70.71, -22.16 | -48.03, -37.61 | APE12-dist-in | 12.8769 | APE11-dist-in | 9.8883 | APE10-dist-in | 7.2536 | APE9-dist-in | 3.2408 | None | TPO160 | TPO160 | XRAY | 2.1 | 0.222 | 0.258 | C | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1p | CMGC_CDK2_HUMAN | CMGC | 6.8e-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 |
| CMGC | CDK2 | CDK2_HUMAN | 1E1VA | P24941 | 1 | 298 | 298.0 | CMG:60401 | Type1 | Inactive | DFGin | 10.7004 | 18.0462 | BLBtrans | -99.24, 155.81 | 66.87, 24.14 | -63.76, 132.18 | 229.6, 99.82 | 83.4, -10.92 | out-out | out | 14.7912 | Saltbr-out | 16.8327 | HRD-in | -80.59, -61.19 | 86.42, -5.25 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8882 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -81.29, 122.71 | APE9-dihe-na | -66.44, 133.05 | APE8-dihe-in | -66.6, 142.89 | APE8-rot-out | 188.61 | APE67-dihe-in | -57.66, -27.27 | -107.35, -0.77 | APE12-dist-out | 20.1277 | APE11-dist-out | 17.3419 | APE10-dist-out | 18.8329 | APE9-dist-out | 10.2538 | None | None | None | XRAY | 1.95 | 0.195 | 0.269 | A | 299.0 | 290.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1e1v | 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 | 1H1PA | P24941 | 1 | 296 | 298.0 | CMG:61298 | Type1 | Active | DFGin | 6.4993 | 15.1175 | BLAminus | -138.92, -178.75 | 49.09, 86.95 | -98.56, 13.99 | 278.53, 73.35 | -55.78, -28.79 | in-in | in | 8.4539 | Saltbr-in | 2.7215 | HRD-in | -77.48, -54.23 | 72.33, 13.84 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8866 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -140.77, 156.24 | APE9-dihe-na | 69.07, 128.03 | APE8-dihe-in | -49.71, 132.1 | APE8-rot-in | 291.9 | APE67-dihe-in | -61.95, -27.18 | -48.08, -36.47 | APE12-dist-in | 13.0523 | APE11-dist-in | 10.0523 | APE10-dist-in | 7.2348 | APE9-dist-in | 3.1622 | None | TPO160 | TPO160 | XRAY | 2.1 | 0.222 | 0.258 | A | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1p | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.8e-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 |
| CMGC | CDK2 | CDK2_HUMAN | 1H1PC | P24941 | 1 | 296 | 298.0 | CMG:61298 | Type1 | Active | DFGin | 6.5662 | 15.1531 | BLAminus | -139.68, 176.89 | 52.0, 85.54 | -98.31, 22.42 | 285.04, 73.37 | -70.33, -22.32 | in-in | in | 8.5886 | Saltbr-in | 2.7814 | HRD-in | -79.75, -57.12 | 71.34, 16.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9334 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -134.98, 156.69 | APE9-dihe-na | 68.49, 129.02 | APE8-dihe-in | -58.75, 132.04 | APE8-rot-in | 288.32 | APE67-dihe-in | -70.71, -22.16 | -48.03, -37.61 | APE12-dist-in | 12.8769 | APE11-dist-in | 9.8883 | APE10-dist-in | 7.2536 | APE9-dist-in | 3.2408 | None | TPO160 | TPO160 | XRAY | 2.1 | 0.222 | 0.258 | C | 303.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h1p | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.8e-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 |
| CMGC | CDK2 | CDK2_HUMAN | 1E1VA | P24941 | 1 | 298 | 298.0 | CMG:60401 | Type1 | Inactive | DFGin | 10.7004 | 18.0462 | BLBtrans | -99.24, 155.81 | 66.87, 24.14 | -63.76, 132.18 | 229.6, 99.82 | 83.4, -10.92 | out-out | out | 14.7912 | Saltbr-out | 16.8327 | HRD-in | -80.59, -61.19 | 86.42, -5.25 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.8882 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -81.29, 122.71 | APE9-dihe-na | -66.44, 133.05 | APE8-dihe-in | -66.6, 142.89 | APE8-rot-out | 188.61 | APE67-dihe-in | -57.66, -27.27 | -107.35, -0.77 | APE12-dist-out | 20.1277 | APE11-dist-out | 17.3419 | APE10-dist-out | 18.8329 | APE9-dist-out | 10.2538 | None | None | None | XRAY | 1.95 | 0.195 | 0.269 | A | 299.0 | 290.0 | 8 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1e1v | 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 |
|---|