| 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 | CDK12 | CDK12_HUMAN | 8BULH | Q9NYV4 | 715 | 1034 | 1490.0 | RSU:1101 | Type1 | Inactive | DFGin | 7.0023 | 15.3341 | ABAminus | -135.61, -41.73 | -99.52, 91.67 | -88.52, 15.79 | 285.0, 79.41 | -60.56, -30.48 | in-in | in | 7.861 | Saltbr-in | 2.9464 | HRD-in | -71.18, -53.58 | 72.73, 2.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.823 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -105.32, -27.33 | APE9-dihe-na | -113.19, 154.32 | APE8-dihe-in | -60.54, 141.61 | APE8-rot-in | 300.72 | APE67-dihe-in | -58.89, -38.82 | -52.85, -42.63 | APE12-dist-in | 13.5001 | APE11-dist-in | 11.612 | APE10-dist-in | 7.1824 | APE9-dist-in | 3.8181 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | H | 344.0 | 320.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 8BULE | Q9NYV4 | 715 | 1038 | 1490.0 | RSU:1101 | Type1 | Active | DFGin | 7.2685 | 15.5744 | BLAminus | -142.23, 173.11 | 51.26, 74.93 | -90.42, 13.84 | 281.63, 81.18 | -57.04, -28.57 | in-in | in | 8.0731 | Saltbr-in | 3.0676 | HRD-in | -70.66, -53.79 | 75.17, 4.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9194 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -101.18, -18.48 | APE9-dihe-na | -95.24, 149.84 | APE8-dihe-in | -59.92, 143.14 | APE8-rot-in | 301.12 | APE67-dihe-in | -61.61, -35.96 | -53.3, -43.95 | APE12-dist-in | 12.7273 | APE11-dist-in | 12.5302 | APE10-dist-in | 6.6866 | APE9-dist-in | 3.3853 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | E | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 8BULB | Q9NYV4 | 715 | 1039 | 1490.0 | RSU:1101 | Type1 | Inactive | DFGin | 7.0478 | 15.5723 | None | -134.15, -61.62 | -82.15, 93.36 | -91.03, 19.31 | 284.15, 82.25 | -57.36, -30.14 | in-in | in | 7.9382 | Saltbr-in | 2.9293 | HRD-in | -70.64, -53.34 | 75.97, 4.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1167 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.1, -23.33 | APE9-dihe-na | -106.91, 152.49 | APE8-dihe-in | -59.59, 141.04 | APE8-rot-in | 301.22 | APE67-dihe-in | -61.09, -37.16 | -52.97, -42.84 | APE12-dist-in | 13.2976 | APE11-dist-in | 11.6069 | APE10-dist-in | 6.723 | APE9-dist-in | 3.6083 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| 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 | CDK12 | CDK12_HUMAN | 8BULH | Q9NYV4 | 715 | 1034 | 1490.0 | RSU:1101 | Type1 | Inactive | DFGin | 7.0023 | 15.3341 | ABAminus | -135.61, -41.73 | -99.52, 91.67 | -88.52, 15.79 | 285.0, 79.41 | -60.56, -30.48 | in-in | in | 7.861 | Saltbr-in | 2.9464 | HRD-in | -71.18, -53.58 | 72.73, 2.44 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.823 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -105.32, -27.33 | APE9-dihe-na | -113.19, 154.32 | APE8-dihe-in | -60.54, 141.61 | APE8-rot-in | 300.72 | APE67-dihe-in | -58.89, -38.82 | -52.85, -42.63 | APE12-dist-in | 13.5001 | APE11-dist-in | 11.612 | APE10-dist-in | 7.1824 | APE9-dist-in | 3.8181 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | H | 344.0 | 320.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 8BULE | Q9NYV4 | 715 | 1038 | 1490.0 | RSU:1101 | Type1 | Active | DFGin | 7.2685 | 15.5744 | BLAminus | -142.23, 173.11 | 51.26, 74.93 | -90.42, 13.84 | 281.63, 81.18 | -57.04, -28.57 | in-in | in | 8.0731 | Saltbr-in | 3.0676 | HRD-in | -70.66, -53.79 | 75.17, 4.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9194 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -101.18, -18.48 | APE9-dihe-na | -95.24, 149.84 | APE8-dihe-in | -59.92, 143.14 | APE8-rot-in | 301.12 | APE67-dihe-in | -61.61, -35.96 | -53.3, -43.95 | APE12-dist-in | 12.7273 | APE11-dist-in | 12.5302 | APE10-dist-in | 6.6866 | APE9-dist-in | 3.3853 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | E | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| CMGC | CDK12 | CDK12_HUMAN | 8BULB | Q9NYV4 | 715 | 1039 | 1490.0 | RSU:1101 | Type1 | Inactive | DFGin | 7.0478 | 15.5723 | None | -134.15, -61.62 | -82.15, 93.36 | -91.03, 19.31 | 284.15, 82.25 | -57.36, -30.14 | in-in | in | 7.9382 | Saltbr-in | 2.9293 | HRD-in | -70.64, -53.34 | 75.97, 4.36 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1167 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -106.1, -23.33 | APE9-dihe-na | -106.91, 152.49 | APE8-dihe-in | -59.59, 141.04 | APE8-rot-in | 301.22 | APE67-dihe-in | -61.09, -37.16 | -52.97, -42.84 | APE12-dist-in | 13.2976 | APE11-dist-in | 11.6069 | APE10-dist-in | 6.723 | APE9-dist-in | 3.6083 | None | TPO893 | TPO893 | XRAY | 3.4 | 0.179 | 0.215 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bul | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 5.4e-84 | 287.9 | 1.0 | 301.0 | 301.0 | 876 | 877 | 878 | 880 | 882 | 756 | 774 | 778 | 856 | 858 | 857 | 859.0 | 918 | 905 | 900 | 899 | 898 | 897 | 896 | 895 | 894 | 814 | Cyclin-dependent kinase 12 |
| 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 |
|---|