| 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 | 4BCPA | P24941 | 1 | 298 | 298.0 | T3C:61299 | Type1 | Active | DFGin | 6.5332 | 15.1905 | BLAminus | -134.13, 171.23 | 58.95, 82.45 | -95.65, 26.87 | 280.18, 67.61 | -65.02, -23.04 | in-in | in | 8.4812 | Saltbr-in | 2.7321 | HRD-in | -79.81, -52.77 | 71.84, 11.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0361 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.96, 155.67 | APE9-dihe-na | 72.11, 128.19 | APE8-dihe-in | -58.21, 133.91 | APE8-rot-in | 298.79 | APE67-dihe-in | -52.89, -28.0 | -40.02, -53.78 | APE12-dist-in | 12.9386 | APE11-dist-in | 10.2828 | APE10-dist-in | 6.9803 | APE9-dist-in | 3.1279 | None | TPO160 | TPO160 | XRAY | 2.26 | 0.183 | 0.217 | A | 300.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4bcp | CMGC_CDK2_HUMAN | CMGC | 6.5e-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 | 4BCPC | P24941 | 1 | 296 | 298.0 | T3C:61297 | Type1 | Active | DFGin | 6.4029 | 15.2626 | BLAminus | -138.65, 173.95 | 55.78, 79.54 | -94.55, 33.05 | 285.17, 67.29 | -71.14, -20.19 | in-in | in | 8.7962 | Saltbr-in | 2.6822 | HRD-in | -80.06, -56.76 | 72.61, 10.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0651 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.86, 153.55 | APE9-dihe-na | 70.9, 126.48 | APE8-dihe-in | -52.55, 138.72 | APE8-rot-in | 308.97 | APE67-dihe-in | -53.33, -25.64 | -40.93, -57.86 | APE12-dist-in | 12.705 | APE11-dist-in | 9.8164 | APE10-dist-in | 6.7355 | APE9-dist-in | 3.2068 | None | TPO160 | TPO160 | XRAY | 2.26 | 0.183 | 0.217 | C | 300.0 | 267.0 | 29 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4bcp | CMGC_CDK2_HUMAN | CMGC | 6.5e-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 | 4BCPA | P24941 | 1 | 298 | 298.0 | T3C:61299 | Type1 | Active | DFGin | 6.5332 | 15.1905 | BLAminus | -134.13, 171.23 | 58.95, 82.45 | -95.65, 26.87 | 280.18, 67.61 | -65.02, -23.04 | in-in | in | 8.4812 | Saltbr-in | 2.7321 | HRD-in | -79.81, -52.77 | 71.84, 11.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0361 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.96, 155.67 | APE9-dihe-na | 72.11, 128.19 | APE8-dihe-in | -58.21, 133.91 | APE8-rot-in | 298.79 | APE67-dihe-in | -52.89, -28.0 | -40.02, -53.78 | APE12-dist-in | 12.9386 | APE11-dist-in | 10.2828 | APE10-dist-in | 6.9803 | APE9-dist-in | 3.1279 | None | TPO160 | TPO160 | XRAY | 2.26 | 0.183 | 0.217 | A | 300.0 | 298.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4bcp | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.5e-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 | 4BCPC | P24941 | 1 | 296 | 298.0 | T3C:61297 | Type1 | Active | DFGin | 6.4029 | 15.2626 | BLAminus | -138.65, 173.95 | 55.78, 79.54 | -94.55, 33.05 | 285.17, 67.29 | -71.14, -20.19 | in-in | in | 8.7962 | Saltbr-in | 2.6822 | HRD-in | -80.06, -56.76 | 72.61, 10.41 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0651 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -135.86, 153.55 | APE9-dihe-na | 70.9, 126.48 | APE8-dihe-in | -52.55, 138.72 | APE8-rot-in | 308.97 | APE67-dihe-in | -53.33, -25.64 | -40.93, -57.86 | APE12-dist-in | 12.705 | APE11-dist-in | 9.8164 | APE10-dist-in | 6.7355 | APE9-dist-in | 3.2068 | None | TPO160 | TPO160 | XRAY | 2.26 | 0.183 | 0.217 | C | 300.0 | 267.0 | 29 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 4bcp | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.5e-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 |
|---|