| 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 | 9JK1A | Q9NYV4 | 717 | 1039 | 1490.0 | A1EB3:1202 | Type1 | Inactive | DFGin | 7.136 | 16.1944 | BLAminus | -133.53, 173.61 | 54.27, 71.41 | -88.96, 16.92 | 270.96, 77.73 | -63.15, -30.31 | in-in | in | 8.4971 | Saltbr-in | 3.2847 | HRD-in | -81.17, -44.88 | 64.66, 14.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8569 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -131.0, -26.54 | APE9-dihe-na | -103.25, 143.89 | APE8-dihe-in | -52.76, 144.9 | APE8-rot-out | 169.48 | APE67-dihe-in | -66.06, -18.64 | -58.71, -34.25 | APE12-dist-in | 13.7501 | APE11-dist-in | 12.2647 | APE10-dist-in | 7.1765 | APE9-dist-in | 3.888 | None | TPO893 | TPO893 | XRAY | 2.72 | 0.249 | 0.267 | A | 340.0 | 311.0 | 12 | 29 | 27 | 2 | [[727, 1020]] | 1.0 | 9jk1 | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 9JK1B | Q9NYV4 | 715 | 1039 | 1490.0 | A1EB3:1101 | Type1 | Inactive | DFGin | 6.9737 | 15.7959 | BLAminus | -131.76, 174.62 | 55.08, 70.72 | -88.19, 16.31 | 271.01, 79.18 | -62.74, -29.13 | in-in | in | 8.5172 | Saltbr-in | 3.0362 | HRD-in | -81.5, -44.39 | 65.05, 13.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1501 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.88, -41.9 | APE9-dihe-na | -106.09, 143.29 | APE8-dihe-in | -52.94, 146.84 | APE8-rot-out | 167.82 | APE67-dihe-in | -65.97, -16.6 | -59.29, -37.44 | APE12-dist-in | 13.6164 | APE11-dist-in | 11.5844 | APE10-dist-in | 7.2432 | APE9-dist-in | 3.6611 | None | TPO893 | TPO893 | XRAY | 2.72 | 0.249 | 0.267 | B | 340.0 | 315.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9jk1 | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 9JK1A | Q9NYV4 | 717 | 1039 | 1490.0 | A1EB3:1202 | Type1 | Inactive | DFGin | 7.136 | 16.1944 | BLAminus | -133.53, 173.61 | 54.27, 71.41 | -88.96, 16.92 | 270.96, 77.73 | -63.15, -30.31 | in-in | in | 8.4971 | Saltbr-in | 3.2847 | HRD-in | -81.17, -44.88 | 64.66, 14.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8569 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -131.0, -26.54 | APE9-dihe-na | -103.25, 143.89 | APE8-dihe-in | -52.76, 144.9 | APE8-rot-out | 169.48 | APE67-dihe-in | -66.06, -18.64 | -58.71, -34.25 | APE12-dist-in | 13.7501 | APE11-dist-in | 12.2647 | APE10-dist-in | 7.1765 | APE9-dist-in | 3.888 | None | TPO893 | TPO893 | XRAY | 2.72 | 0.249 | 0.267 | A | 340.0 | 311.0 | 12 | 29 | 27 | 2 | [[727, 1020]] | 1.0 | 9jk1 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 9JK1B | Q9NYV4 | 715 | 1039 | 1490.0 | A1EB3:1101 | Type1 | Inactive | DFGin | 6.9737 | 15.7959 | BLAminus | -131.76, 174.62 | 55.08, 70.72 | -88.19, 16.31 | 271.01, 79.18 | -62.74, -29.13 | in-in | in | 8.5172 | Saltbr-in | 3.0362 | HRD-in | -81.5, -44.39 | 65.05, 13.56 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1501 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.88, -41.9 | APE9-dihe-na | -106.09, 143.29 | APE8-dihe-in | -52.94, 146.84 | APE8-rot-out | 167.82 | APE67-dihe-in | -65.97, -16.6 | -59.29, -37.44 | APE12-dist-in | 13.6164 | APE11-dist-in | 11.5844 | APE10-dist-in | 7.2432 | APE9-dist-in | 3.6611 | None | TPO893 | TPO893 | XRAY | 2.72 | 0.249 | 0.267 | B | 340.0 | 315.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9jk1 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 |
|---|