| 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 | 1H24A | P24941 | 1 | 293 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3699 | 15.4411 | BLAminus | -149.05, 176.13 | 58.55, 82.71 | -98.93, 22.4 | 284.12, 70.53 | -57.88, -40.84 | in-out | in | 8.9055 | Saltbr-out | 3.6778 | HRD-in | -79.24, -45.57 | 66.77, 15.64 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9857 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.68, 132.36 | APE9-dihe-na | 80.91, 130.55 | APE8-dihe-in | -56.75, 124.45 | APE8-rot-in | 291.68 | APE67-dihe-in | -59.21, -22.16 | -34.29, -51.02 | APE12-dist-in | 13.0681 | APE11-dist-in | 9.8437 | APE10-dist-in | 7.9429 | APE9-dist-in | 3.3226 | None | TPO160 | TPO160 | XRAY | 2.5 | 0.212 | 0.27 | A | 303.0 | 293.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h24 | 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 | 1H24C | P24941 | 1 | 293 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.5591 | 15.5957 | BLAminus | -133.49, 175.31 | 53.76, 89.78 | -103.42, 21.65 | 275.45, 80.97 | -62.92, -37.77 | in-in | in | 9.1199 | Saltbr-in | 2.8502 | HRD-in | -91.23, -52.77 | 60.11, 22.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6574 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.82, 140.74 | APE9-dihe-na | 80.17, 132.23 | APE8-dihe-in | -55.87, 134.79 | APE8-rot-in | 288.67 | APE67-dihe-in | -70.66, -27.96 | -51.17, -32.98 | APE12-dist-in | 12.6943 | APE11-dist-in | 10.7502 | APE10-dist-in | 7.2893 | APE9-dist-in | 3.4247 | None | TPO160 | TPO160 | XRAY | 2.5 | 0.212 | 0.27 | C | 303.0 | 293.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h24 | 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 |
| 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 | 1H24A | P24941 | 1 | 293 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3699 | 15.4411 | BLAminus | -149.05, 176.13 | 58.55, 82.71 | -98.93, 22.4 | 284.12, 70.53 | -57.88, -40.84 | in-out | in | 8.9055 | Saltbr-out | 3.6778 | HRD-in | -79.24, -45.57 | 66.77, 15.64 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9857 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.68, 132.36 | APE9-dihe-na | 80.91, 130.55 | APE8-dihe-in | -56.75, 124.45 | APE8-rot-in | 291.68 | APE67-dihe-in | -59.21, -22.16 | -34.29, -51.02 | APE12-dist-in | 13.0681 | APE11-dist-in | 9.8437 | APE10-dist-in | 7.9429 | APE9-dist-in | 3.3226 | None | TPO160 | TPO160 | XRAY | 2.5 | 0.212 | 0.27 | A | 303.0 | 293.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h24 | 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 | 1H24C | P24941 | 1 | 293 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.5591 | 15.5957 | BLAminus | -133.49, 175.31 | 53.76, 89.78 | -103.42, 21.65 | 275.45, 80.97 | -62.92, -37.77 | in-in | in | 9.1199 | Saltbr-in | 2.8502 | HRD-in | -91.23, -52.77 | 60.11, 22.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6574 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.82, 140.74 | APE9-dihe-na | 80.17, 132.23 | APE8-dihe-in | -55.87, 134.79 | APE8-rot-in | 288.67 | APE67-dihe-in | -70.66, -27.96 | -51.17, -32.98 | APE12-dist-in | 12.6943 | APE11-dist-in | 10.7502 | APE10-dist-in | 7.2893 | APE9-dist-in | 3.4247 | None | TPO160 | TPO160 | XRAY | 2.5 | 0.212 | 0.27 | C | 303.0 | 293.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h24 | 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 |
| 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 |
|---|