| 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 | 9ESSA | P24941 | 1 | 298 | 298.0 | UUG:60601,UUG:60603,UUG:60604,UUG:60605 | Allosteric,Type1,Allosteric,Allosteric | Active | DFGin | 6.695 | 15.291 | BLAminus | -143.55, -172.69 | 50.57, 82.8 | -101.61, 18.26 | 274.16, 75.73 | -70.34, -22.45 | in-in | in | 8.76 | Saltbr-in | 3.285 | HRD-in | -76.11, -53.71 | 67.29, 25.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.856 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.09, 136.89 | APE9-dihe-na | 78.9, 132.52 | APE8-dihe-in | -60.77, 137.94 | APE8-rot-in | 287.48 | APE67-dihe-in | -68.63, -13.58 | -48.45, -45.96 | APE12-dist-in | 12.975 | APE11-dist-in | 10.05 | APE10-dist-in | 7.581 | APE9-dist-in | 3.313 | None | TPO160 | TPO160 | XRAY | 2.44 | 0.212 | 0.219 | A | 302 | 298 | 0 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 9ess | CMGC_CDK2_HUMAN | CMGC | 6.7e-90 | 307.8 | 1 | 301 | 301 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 9ESSC | P24941 | 1 | 296 | 298.0 | UUG:60501,UUG:60502 | Type1,Allosteric | Active | DFGin | 6.631 | 14.933 | BLAminus | -142.84, 175.97 | 51.2, 79.73 | -89.56, 21.72 | 284.95, 67.51 | -58.42, -34.37 | in-in | in | 8.295 | Saltbr-in | 2.868 | HRD-in | -75.14, -63.05 | 75.45, 9.68 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.962 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.9, 146.77 | APE9-dihe-na | 74.13, 121.78 | APE8-dihe-in | -44.27, 147.71 | APE8-rot-in | 310.11 | APE67-dihe-in | -53.57, -23.24 | -51.44, -55.49 | APE12-dist-in | 12.636 | APE11-dist-in | 9.974 | APE10-dist-in | 6.855 | APE9-dist-in | 3.245 | None | TPO160 | TPO160 | XRAY | 2.44 | 0.212 | 0.219 | C | 302 | 265 | 31 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 9ess | CMGC_CDK2_HUMAN | CMGC | 6.7e-90 | 307.8 | 1 | 301 | 301 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127 | 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 | 9ESSA | P24941 | 1 | 298 | 298.0 | UUG:60601,UUG:60603,UUG:60604,UUG:60605 | Allosteric,Type1,Allosteric,Allosteric | Active | DFGin | 6.695 | 15.291 | BLAminus | -143.55, -172.69 | 50.57, 82.8 | -101.61, 18.26 | 274.16, 75.73 | -70.34, -22.45 | in-in | in | 8.76 | Saltbr-in | 3.285 | HRD-in | -76.11, -53.71 | 67.29, 25.09 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.856 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.09, 136.89 | APE9-dihe-na | 78.9, 132.52 | APE8-dihe-in | -60.77, 137.94 | APE8-rot-in | 287.48 | APE67-dihe-in | -68.63, -13.58 | -48.45, -45.96 | APE12-dist-in | 12.975 | APE11-dist-in | 10.05 | APE10-dist-in | 7.581 | APE9-dist-in | 3.313 | None | TPO160 | TPO160 | XRAY | 2.44 | 0.212 | 0.219 | A | 302 | 298 | 0 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 9ess | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.7e-90 | 307.8 | 1 | 301 | 301 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127 | 185 | 172 | 167 | 166 | 165 | 164 | 163 | 162 | 161 | 81 | Cyclin-dependent kinase 2 |
| CMGC | CDK2 | CDK2_HUMAN | 9ESSC | P24941 | 1 | 296 | 298.0 | UUG:60501,UUG:60502 | Type1,Allosteric | Active | DFGin | 6.631 | 14.933 | BLAminus | -142.84, 175.97 | 51.2, 79.73 | -89.56, 21.72 | 284.95, 67.51 | -58.42, -34.37 | in-in | in | 8.295 | Saltbr-in | 2.868 | HRD-in | -75.14, -63.05 | 75.45, 9.68 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.962 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.9, 146.77 | APE9-dihe-na | 74.13, 121.78 | APE8-dihe-in | -44.27, 147.71 | APE8-rot-in | 310.11 | APE67-dihe-in | -53.57, -23.24 | -51.44, -55.49 | APE12-dist-in | 12.636 | APE11-dist-in | 9.974 | APE10-dist-in | 6.855 | APE9-dist-in | 3.245 | None | TPO160 | TPO160 | XRAY | 2.44 | 0.212 | 0.219 | C | 302 | 265 | 31 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 9ess | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.7e-90 | 307.8 | 1 | 301 | 301 | 144 | 145 | 146 | 148 | 150 | 33 | 51 | 55 | 124 | 126 | 125 | 127 | 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 |
|---|