| 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 | 8BU1E | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.0678 | 15.2145 | BLAminus | -136.12, -177.54 | 44.75, 87.14 | -99.51, 30.27 | 285.35, 73.68 | -68.31, -25.33 | in-in | in | 7.7936 | Saltbr-in | 3.0999 | HRD-in | -77.94, -49.77 | 74.02, -0.64 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6913 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.97, -45.94 | APE9-dihe-na | -80.52, 149.74 | APE8-dihe-in | -60.97, 145.17 | APE8-rot-out | 178.02 | APE67-dihe-in | -66.77, -27.56 | -51.22, -43.09 | APE12-dist-in | 13.0179 | APE11-dist-in | 12.2266 | APE10-dist-in | 6.9915 | APE9-dist-in | 3.5494 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | E | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 | 8BU1B | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.8884 | 15.2984 | None | -128.47, -62.59 | -80.73, 98.22 | -97.65, 30.1 | 286.08, 74.34 | -69.36, -27.39 | in-in | in | 7.8207 | Saltbr-in | 3.2637 | HRD-in | -79.79, -51.42 | 72.8, -1.21 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7133 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.4, -55.58 | APE9-dihe-na | -85.22, 150.62 | APE8-dihe-in | -62.26, 144.21 | APE8-rot-out | 179.44 | APE67-dihe-in | -65.72, -30.15 | -51.5, -38.4 | APE12-dist-in | 13.2818 | APE11-dist-in | 11.6162 | APE10-dist-in | 6.9008 | APE9-dist-in | 3.7142 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | B | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 | 8BU1H | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.9866 | 15.4035 | None | -124.14, -66.45 | -82.78, 98.54 | -96.09, 28.76 | 284.79, 71.99 | -70.28, -26.46 | in-in | in | 7.8662 | Saltbr-in | 3.166 | HRD-in | -79.63, -53.16 | 73.52, -1.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7593 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -109.57, -50.83 | APE9-dihe-na | -86.52, 154.66 | APE8-dihe-in | -59.58, 143.86 | APE8-rot-out | 8.75 | APE67-dihe-in | -65.52, -30.46 | -51.58, -39.94 | APE12-dist-in | 13.8095 | APE11-dist-in | 12.2137 | APE10-dist-in | 7.2362 | APE9-dist-in | 3.5954 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 | 8BU1E | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.0678 | 15.2145 | BLAminus | -136.12, -177.54 | 44.75, 87.14 | -99.51, 30.27 | 285.35, 73.68 | -68.31, -25.33 | in-in | in | 7.7936 | Saltbr-in | 3.0999 | HRD-in | -77.94, -49.77 | 74.02, -0.64 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6913 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.97, -45.94 | APE9-dihe-na | -80.52, 149.74 | APE8-dihe-in | -60.97, 145.17 | APE8-rot-out | 178.02 | APE67-dihe-in | -66.77, -27.56 | -51.22, -43.09 | APE12-dist-in | 13.0179 | APE11-dist-in | 12.2266 | APE10-dist-in | 6.9915 | APE9-dist-in | 3.5494 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | E | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 | 8BU1B | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.8884 | 15.2984 | None | -128.47, -62.59 | -80.73, 98.22 | -97.65, 30.1 | 286.08, 74.34 | -69.36, -27.39 | in-in | in | 7.8207 | Saltbr-in | 3.2637 | HRD-in | -79.79, -51.42 | 72.8, -1.21 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7133 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.4, -55.58 | APE9-dihe-na | -85.22, 150.62 | APE8-dihe-in | -62.26, 144.21 | APE8-rot-out | 179.44 | APE67-dihe-in | -65.72, -30.15 | -51.5, -38.4 | APE12-dist-in | 13.2818 | APE11-dist-in | 11.6162 | APE10-dist-in | 6.9008 | APE9-dist-in | 3.7142 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | B | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 | 8BU1H | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.9866 | 15.4035 | None | -124.14, -66.45 | -82.78, 98.54 | -96.09, 28.76 | 284.79, 71.99 | -70.28, -26.46 | in-in | in | 7.8662 | Saltbr-in | 3.166 | HRD-in | -79.63, -53.16 | 73.52, -1.03 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7593 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -109.57, -50.83 | APE9-dihe-na | -86.52, 154.66 | APE8-dihe-in | -59.58, 143.86 | APE8-rot-out | 8.75 | APE67-dihe-in | -65.52, -30.46 | -51.58, -39.94 | APE12-dist-in | 13.8095 | APE11-dist-in | 12.2137 | APE10-dist-in | 7.2362 | APE9-dist-in | 3.5954 | K965R | TPO893 | TPO893 | XRAY | 2.98 | 0.195 | 0.218 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu1 | 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 |
|---|