| 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 | 1H27A | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.6641 | 15.3233 | BLAminus | -140.7, 165.59 | 63.58, 80.1 | -95.0, 28.03 | 281.73, 75.96 | -81.22, -9.66 | in-in | in | 8.8745 | Saltbr-in | 2.671 | HRD-in | -79.12, -57.48 | 75.49, 12.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9747 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.15, 141.66 | APE9-dihe-na | 83.31, 128.91 | APE8-dihe-in | -54.93, 124.96 | APE8-rot-in | 299.96 | APE67-dihe-in | -61.78, -15.18 | -31.34, -53.69 | APE12-dist-in | 13.3606 | APE11-dist-in | 10.7372 | APE10-dist-in | 7.5305 | APE9-dist-in | 3.4219 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.229 | 0.269 | A | 303.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h27 | 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 | 1H27C | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.5348 | 15.6976 | BLAminus | -141.01, -170.97 | 48.58, 73.87 | -90.7, 21.51 | 277.96, 73.03 | -70.2, -20.66 | in-in | in | 8.8769 | Saltbr-in | 2.6478 | HRD-in | -74.45, -56.61 | 75.47, 6.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9554 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.35, -75.83 | APE9-dihe-na | -78.83, 147.21 | APE8-dihe-in | -56.74, 130.79 | APE8-rot-in | 291.88 | APE67-dihe-in | -55.62, -23.64 | -43.11, -54.87 | APE12-dist-in | 12.872 | APE11-dist-in | 10.3361 | APE10-dist-in | 6.9622 | APE9-dist-in | 3.3737 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.229 | 0.269 | C | 303.0 | 292.0 | 5 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h27 | 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 | 1H27A | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.6641 | 15.3233 | BLAminus | -140.7, 165.59 | 63.58, 80.1 | -95.0, 28.03 | 281.73, 75.96 | -81.22, -9.66 | in-in | in | 8.8745 | Saltbr-in | 2.671 | HRD-in | -79.12, -57.48 | 75.49, 12.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9747 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.15, 141.66 | APE9-dihe-na | 83.31, 128.91 | APE8-dihe-in | -54.93, 124.96 | APE8-rot-in | 299.96 | APE67-dihe-in | -61.78, -15.18 | -31.34, -53.69 | APE12-dist-in | 13.3606 | APE11-dist-in | 10.7372 | APE10-dist-in | 7.5305 | APE9-dist-in | 3.4219 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.229 | 0.269 | A | 303.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h27 | 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 | 1H27C | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Active | DFGin | 6.5348 | 15.6976 | BLAminus | -141.01, -170.97 | 48.58, 73.87 | -90.7, 21.51 | 277.96, 73.03 | -70.2, -20.66 | in-in | in | 8.8769 | Saltbr-in | 2.6478 | HRD-in | -74.45, -56.61 | 75.47, 6.24 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9554 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.35, -75.83 | APE9-dihe-na | -78.83, 147.21 | APE8-dihe-in | -56.74, 130.79 | APE8-rot-in | 291.88 | APE67-dihe-in | -55.62, -23.64 | -43.11, -54.87 | APE12-dist-in | 12.872 | APE11-dist-in | 10.3361 | APE10-dist-in | 6.9622 | APE9-dist-in | 3.3737 | None | TPO160 | TPO160 | XRAY | 2.2 | 0.229 | 0.269 | C | 303.0 | 292.0 | 5 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1h27 | 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 |
|---|