| 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 | 1URCA | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5119 | 14.9813 | BLAminus | -129.95, 175.56 | 55.15, 83.89 | -97.6, 32.32 | 291.84, 63.51 | -71.22, -27.23 | in-in | in | 8.3409 | Saltbr-in | 3.0608 | HRD-in | -94.24, -49.78 | 87.01, -13.05 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8488 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_oioo | APE10-dihe-na | -127.29, -40.73 | APE9-dihe-na | -65.24, -160.23 | APE8-dihe-in | -82.59, 155.77 | APE8-rot-out | 198.85 | APE67-dihe-out | 76.94, -57.2 | -81.24, -148.21 | APE12-dist-out | 14.7734 | APE11-dist-in | 11.0049 | APE10-dist-out | 8.201 | APE9-dist-out | 6.6664 | None | None | None | XRAY | 2.6 | 0.177 | 0.254 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1urc | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 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 | 1URCC | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5243 | 15.349 | BLAminus | -139.3, 168.34 | 67.82, 71.56 | -90.12, 30.22 | 284.71, 64.0 | -56.18, -36.82 | in-in | in | 8.2483 | Saltbr-in | 3.017 | HRD-in | -76.88, -54.17 | 79.16, -8.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8574 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiio | APE10-dihe-na | -115.87, 126.59 | APE9-dihe-na | -47.68, 173.83 | APE8-dihe-in | -109.65, 161.85 | APE8-rot-in | 305.52 | APE67-dihe-in | -50.71, -33.17 | -102.69, -32.98 | APE12-dist-out | 15.0567 | APE11-dist-in | 10.9185 | APE10-dist-in | 7.8701 | APE9-dist-out | 6.6034 | None | None | None | XRAY | 2.6 | 0.177 | 0.254 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1urc | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 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 | 1URCA | P24941 | 1 | 296 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5119 | 14.9813 | BLAminus | -129.95, 175.56 | 55.15, 83.89 | -97.6, 32.32 | 291.84, 63.51 | -71.22, -27.23 | in-in | in | 8.3409 | Saltbr-in | 3.0608 | HRD-in | -94.24, -49.78 | 87.01, -13.05 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8488 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_oioo | APE10-dihe-na | -127.29, -40.73 | APE9-dihe-na | -65.24, -160.23 | APE8-dihe-in | -82.59, 155.77 | APE8-rot-out | 198.85 | APE67-dihe-out | 76.94, -57.2 | -81.24, -148.21 | APE12-dist-out | 14.7734 | APE11-dist-in | 11.0049 | APE10-dist-out | 8.201 | APE9-dist-out | 6.6664 | None | None | None | XRAY | 2.6 | 0.177 | 0.254 | A | 298.0 | 296.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1urc | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 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 | 1URCC | P24941 | 1 | 297 | 298.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5243 | 15.349 | BLAminus | -139.3, 168.34 | 67.82, 71.56 | -90.12, 30.22 | 284.71, 64.0 | -56.18, -36.82 | in-in | in | 8.2483 | Saltbr-in | 3.017 | HRD-in | -76.88, -54.17 | 79.16, -8.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8574 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiio | APE10-dihe-na | -115.87, 126.59 | APE9-dihe-na | -47.68, 173.83 | APE8-dihe-in | -109.65, 161.85 | APE8-rot-in | 305.52 | APE67-dihe-in | -50.71, -33.17 | -102.69, -32.98 | APE12-dist-out | 15.0567 | APE11-dist-in | 10.9185 | APE10-dist-in | 7.8701 | APE9-dist-out | 6.6034 | None | None | None | XRAY | 2.6 | 0.177 | 0.254 | C | 298.0 | 297.0 | 0 | 28 | 28 | 0 | [[4, 286]] | 1.0 | 1urc | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 6.3e-90 | 307.9 | 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 |
|---|