| 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 | 9ETBA | P24941 | 1 | 298 | 298.0 | PYZ:60601,PYZ:60602,PYZ:60604,PYZ:60606 | Allosteric,Type1,Allosteric,Allosteric | Active | DFGin | 6.6797 | 15.5696 | BLAminus | -134.02, 179.89 | 52.18, 79.05 | -90.46, 32.64 | 275.32, 74.18 | -73.39, -29.97 | in-in | in | 8.6166 | Saltbr-in | 3.4791 | HRD-in | -84.14, -59.82 | 72.65, 14.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.68, 145.25 | APE9-dihe-na | 77.56, 126.12 | APE8-dihe-in | -50.85, 139.31 | APE8-rot-in | 306.09 | APE67-dihe-in | -53.89, -21.84 | -51.66, -56.12 | APE12-dist-in | 12.6787 | APE11-dist-in | 10.3424 | APE10-dist-in | 7.1023 | APE9-dist-in | 3.2048 | None | TPO160 | TPO160 | XRAY | 2.76 | 0.213 | 0.228 | A | 302.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 9etb | CMGC_CDK2_HUMAN | CMGC | 6.7e-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 | 9ETBC | P24941 | 1 | 296 | 298.0 | PYZ:60501,PYZ:60502,PYZ:60504 | Type1,Allosteric,Allosteric | Active | DFGin | 6.7461 | 15.0192 | BLAminus | -143.48, -178.64 | 51.51, 80.46 | -98.47, 34.67 | 277.11, 78.33 | -78.48, -28.12 | in-in | in | 8.4058 | Saltbr-in | 2.9182 | HRD-in | -77.32, -49.73 | 69.21, 13.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9209 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.33, 153.34 | APE9-dihe-na | 65.12, 133.84 | APE8-dihe-in | -56.36, 138.43 | APE8-rot-in | 308.36 | APE67-dihe-in | -58.62, -30.85 | -38.23, -52.66 | APE12-dist-in | 12.5392 | APE11-dist-in | 9.6012 | APE10-dist-in | 6.6171 | APE9-dist-in | 3.4684 | None | TPO160 | TPO160 | XRAY | 2.76 | 0.213 | 0.228 | C | 302.0 | 284.0 | 12 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 9etb | CMGC_CDK2_HUMAN | CMGC | 6.7e-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 | 9ETBA | P24941 | 1 | 298 | 298.0 | PYZ:60601,PYZ:60602,PYZ:60604,PYZ:60606 | Allosteric,Type1,Allosteric,Allosteric | Active | DFGin | 6.6797 | 15.5696 | BLAminus | -134.02, 179.89 | 52.18, 79.05 | -90.46, 32.64 | 275.32, 74.18 | -73.39, -29.97 | in-in | in | 8.6166 | Saltbr-in | 3.4791 | HRD-in | -84.14, -59.82 | 72.65, 14.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.68, 145.25 | APE9-dihe-na | 77.56, 126.12 | APE8-dihe-in | -50.85, 139.31 | APE8-rot-in | 306.09 | APE67-dihe-in | -53.89, -21.84 | -51.66, -56.12 | APE12-dist-in | 12.6787 | APE11-dist-in | 10.3424 | APE10-dist-in | 7.1023 | APE9-dist-in | 3.2048 | None | TPO160 | TPO160 | XRAY | 2.76 | 0.213 | 0.228 | A | 302.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 9etb | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.7e-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 | 9ETBC | P24941 | 1 | 296 | 298.0 | PYZ:60501,PYZ:60502,PYZ:60504 | Type1,Allosteric,Allosteric | Active | DFGin | 6.7461 | 15.0192 | BLAminus | -143.48, -178.64 | 51.51, 80.46 | -98.47, 34.67 | 277.11, 78.33 | -78.48, -28.12 | in-in | in | 8.4058 | Saltbr-in | 2.9182 | HRD-in | -77.32, -49.73 | 69.21, 13.85 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9209 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.33, 153.34 | APE9-dihe-na | 65.12, 133.84 | APE8-dihe-in | -56.36, 138.43 | APE8-rot-in | 308.36 | APE67-dihe-in | -58.62, -30.85 | -38.23, -52.66 | APE12-dist-in | 12.5392 | APE11-dist-in | 9.6012 | APE10-dist-in | 6.6171 | APE9-dist-in | 3.4684 | None | TPO160 | TPO160 | XRAY | 2.76 | 0.213 | 0.228 | C | 302.0 | 284.0 | 12 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 9etb | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.7e-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 |
|---|