| 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 | CDK1 | CDK1_HUMAN | 6GU4A | P06493 | 1 | 289 | 297.0 | FC8:60301 | Type1 | Inactive | DFGin | 7.5811 | 14.5839 | BLAminus | -145.61, 170.8 | 53.63, 78.2 | -92.59, 26.44 | 286.38, 84.12 | -71.67, -17.29 | in-in | in | 8.9628 | Saltbr-in | 2.8331 | HRD-in | -78.07, -55.7 | 69.57, -1.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8069 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | -51.9, 100.35 | APE9-dihe-na | -20.85, -56.41 | APE8-dihe-in | -125.37, 142.85 | APE8-rot-out | 188.74 | APE67-dihe-in | -66.53, -22.83 | -106.3, -18.52 | APE12-dist-in | 13.7675 | APE11-dist-in | 10.879 | APE10-dist-in | 7.8762 | APE9-dist-out | 10.1528 | None | None | None | XRAY | 2.73 | 0.199 | 0.253 | A | 302.0 | 289.0 | 0 | 28 | 28 | 0 | [[4, 287]] | 1.0 | 6gu4 | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK2 | CDK2_HUMAN | 6GUKA | P24941 | 1 | 298 | 298.0 | FC8:301 | Type1 | Inactive | None | 11.4951 | 18.2957 | None | -105.76, 142.13 | 85.41, 11.26 | -53.22, 139.96 | 258.83, 85.48 | 82.71, -9.99 | out-out | out | 16.2084 | Saltbr-out | 15.8102 | HRD-in | -84.25, -64.23 | 86.29, -13.89 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7839 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 126.62 | APE8-dihe-in | -72.63, 127.56 | APE8-rot-out | 192.14 | APE67-dihe-in | -62.77, -24.98 | -100.92, -3.58 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.2128 | None | None | None | XRAY | 1.3 | 0.206 | 0.232 | A | 306.0 | 278.0 | 20 | 28 | 18 | 10 | [[4, 286]] | 1.0 | 6guk | CMGC_CDK2_HUMAN | CMGC | 7e-90 | 307.7 | 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 | CDK1 | CDK1_HUMAN | 6GU4A | P06493 | 1 | 289 | 297.0 | FC8:60301 | Type1 | Inactive | DFGin | 7.5811 | 14.5839 | BLAminus | -145.61, 170.8 | 53.63, 78.2 | -92.59, 26.44 | 286.38, 84.12 | -71.67, -17.29 | in-in | in | 8.9628 | Saltbr-in | 2.8331 | HRD-in | -78.07, -55.7 | 69.57, -1.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8069 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | -51.9, 100.35 | APE9-dihe-na | -20.85, -56.41 | APE8-dihe-in | -125.37, 142.85 | APE8-rot-out | 188.74 | APE67-dihe-in | -66.53, -22.83 | -106.3, -18.52 | APE12-dist-in | 13.7675 | APE11-dist-in | 10.879 | APE10-dist-in | 7.8762 | APE9-dist-out | 10.1528 | None | None | None | XRAY | 2.73 | 0.199 | 0.253 | A | 302.0 | 289.0 | 0 | 28 | 28 | 0 | [[4, 287]] | 1.0 | 6gu4 | Homo sapiens | CMGC_CDK1_HUMAN | CMGC | 2.7e-87 | 298.9 | 1.0 | 301.0 | 301.0 | 145 | 146 | 147 | 149 | 151 | 33 | 51 | 55 | 125 | 127 | 126 | 128.0 | 186 | 173 | 168 | 167 | 166 | 165 | 164 | 163 | 162 | 81 | Cyclin-dependent kinase 1 |
| CMGC | CDK2 | CDK2_HUMAN | 6GUKA | P24941 | 1 | 298 | 298.0 | FC8:301 | Type1 | Inactive | None | 11.4951 | 18.2957 | None | -105.76, 142.13 | 85.41, 11.26 | -53.22, 139.96 | 258.83, 85.48 | 82.71, -9.99 | out-out | out | 16.2084 | Saltbr-out | 15.8102 | HRD-in | -84.25, -64.23 | 86.29, -13.89 | out-out-out | SNCooo | out-out | ActLoopNT-out | 5.7839 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 126.62 | APE8-dihe-in | -72.63, 127.56 | APE8-rot-out | 192.14 | APE67-dihe-in | -62.77, -24.98 | -100.92, -3.58 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.2128 | None | None | None | XRAY | 1.3 | 0.206 | 0.232 | A | 306.0 | 278.0 | 20 | 28 | 18 | 10 | [[4, 286]] | 1.0 | 6guk | Homo sapiens | CMGC_CDK2_HUMAN | CMGC | 7e-90 | 307.7 | 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 |
|---|