| 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 | 3DOGA | P24941 | 1 | 298 | 298.0 | NNN:60299 | Type1 | Inactive | DFGin | 6.622 | 15.124 | BLAminus | -123.83, 171.95 | 56.41, 94.47 | -105.53, 13.92 | 276.45, 71.26 | -61.4, -24.91 | in-in | in | 8.343 | Saltbr-in | 2.572 | HRD-in | -74.01, -59.72 | 75.02, 13.59 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.977 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -158.74, 129.37 | APE9-dihe-na | 67.46, 135.39 | APE8-dihe-in | -55.08, 134.55 | APE8-rot-in | 285.3 | APE67-dihe-in | -61.78, -16.0 | -48.46, -43.14 | APE12-dist-in | 12.737 | APE11-dist-in | 9.742 | APE10-dist-out | 8.219 | APE9-dist-in | 3.151 | None | TPO160 | TPO160 | XRAY | 2.7 | 0.197 | 0.248 | A | 299 | 297 | 1 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 3dog | CMGC_CDK2_HUMAN | CMGC | 6.4e-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 | 3DOGC | P24941 | 1 | 297 | 298.0 | NNN:60299 | Type1 | Inactive | DFGin | 6.592 | 14.999 | BLAminus | -128.02, 179.32 | 44.45, 89.67 | -97.23, 22.43 | 280.59, 63.22 | -60.28, -33.83 | in-in | in | 8.292 | Saltbr-in | 2.674 | HRD-in | -85.15, -49.99 | 70.0, 6.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.917 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -122.97, -49.47 | APE9-dihe-na | -120.71, 146.21 | APE8-dihe-in | -55.12, 140.65 | APE8-rot-out | 83.77 | APE67-dihe-in | -60.72, -21.94 | -37.84, -55.18 | APE12-dist-in | 12.779 | APE11-dist-in | 10.306 | APE10-dist-in | 7.459 | APE9-dist-in | 3.326 | None | TPO160 | TPO160 | XRAY | 2.7 | 0.197 | 0.248 | C | 299 | 267 | 30 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 3dog | CMGC_CDK2_HUMAN | CMGC | 6.4e-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 | 3DOGA | P24941 | 1 | 298 | 298.0 | NNN:60299 | Type1 | Inactive | DFGin | 6.622 | 15.124 | BLAminus | -123.83, 171.95 | 56.41, 94.47 | -105.53, 13.92 | 276.45, 71.26 | -61.4, -24.91 | in-in | in | 8.343 | Saltbr-in | 2.572 | HRD-in | -74.01, -59.72 | 75.02, 13.59 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.977 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -158.74, 129.37 | APE9-dihe-na | 67.46, 135.39 | APE8-dihe-in | -55.08, 134.55 | APE8-rot-in | 285.3 | APE67-dihe-in | -61.78, -16.0 | -48.46, -43.14 | APE12-dist-in | 12.737 | APE11-dist-in | 9.742 | APE10-dist-out | 8.219 | APE9-dist-in | 3.151 | None | TPO160 | TPO160 | XRAY | 2.7 | 0.197 | 0.248 | A | 299 | 297 | 1 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 3dog | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.4e-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 | 3DOGC | P24941 | 1 | 297 | 298.0 | NNN:60299 | Type1 | Inactive | DFGin | 6.592 | 14.999 | BLAminus | -128.02, 179.32 | 44.45, 89.67 | -97.23, 22.43 | 280.59, 63.22 | -60.28, -33.83 | in-in | in | 8.292 | Saltbr-in | 2.674 | HRD-in | -85.15, -49.99 | 70.0, 6.47 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.917 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -122.97, -49.47 | APE9-dihe-na | -120.71, 146.21 | APE8-dihe-in | -55.12, 140.65 | APE8-rot-out | 83.77 | APE67-dihe-in | -60.72, -21.94 | -37.84, -55.18 | APE12-dist-in | 12.779 | APE11-dist-in | 10.306 | APE10-dist-in | 7.459 | APE9-dist-in | 3.326 | None | TPO160 | TPO160 | XRAY | 2.7 | 0.197 | 0.248 | C | 299 | 267 | 30 | 0 | 0 | 0 | [[4, 286]] | 1.0 | 3dog | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.4e-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 |
|---|