| 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 | 9FMRE | Q9NYV4 | 714 | 1042 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 6.7935 | 14.6403 | ABAminus | -113.83, -79.52 | -84.15, 118.47 | -115.27, 16.16 | 293.54, 100.02 | -64.02, -34.33 | in-out | in | 9.6335 | Saltbr-out | 3.6123 | HRD-out | -79.17, 82.22 | -59.96, 8.89 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0256 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -148.14, -27.51 | APE9-dihe-na | -104.44, 148.12 | APE8-dihe-in | -51.45, 137.55 | APE8-rot-in | 306.02 | APE67-dihe-in | -70.5, -21.3 | -54.61, -36.19 | APE12-dist-out | 14.2984 | APE11-dist-in | 12.2112 | APE10-dist-in | 7.469 | APE9-dist-in | 3.7666 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | E | 351.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 9FMRH | Q9NYV4 | 714 | 1044 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 6.8012 | 14.6033 | ABAminus | -113.95, -78.4 | -84.85, 124.02 | -118.87, 17.95 | 291.29, 89.7 | -63.88, -35.4 | in-in | in | 8.5917 | Saltbr-in | 3.5517 | HRD-in | -72.47, -40.65 | 59.82, 5.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.74, -27.71 | APE9-dihe-na | -103.25, 148.34 | APE8-dihe-in | -51.07, 136.63 | APE8-rot-in | 306.14 | APE67-dihe-in | -69.99, -21.15 | -54.39, -34.8 | APE12-dist-in | 13.8232 | APE11-dist-in | 12.0979 | APE10-dist-in | 7.2545 | APE9-dist-in | 3.6076 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | H | 351.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 9FMRB | Q9NYV4 | 714 | 1047 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 7.1242 | 15.0312 | None | -111.49, -74.26 | -77.99, -72.15 | 68.85, 12.84 | 296.16, 89.8 | -66.22, -36.51 | in-out | in | 8.3316 | Saltbr-out | 4.4499 | HRD-in | -70.8, -35.56 | 62.81, 1.22 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0722 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.03, -25.75 | APE9-dihe-na | -103.56, 146.88 | APE8-dihe-in | -51.72, 138.27 | APE8-rot-in | 305.58 | APE67-dihe-in | -69.51, -21.36 | -53.61, -35.19 | APE12-dist-in | 13.9874 | APE11-dist-in | 12.2701 | APE10-dist-in | 7.331 | APE9-dist-in | 3.8645 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | B | 351.0 | 334.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 9FMRE | Q9NYV4 | 714 | 1042 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 6.7935 | 14.6403 | ABAminus | -113.83, -79.52 | -84.15, 118.47 | -115.27, 16.16 | 293.54, 100.02 | -64.02, -34.33 | in-out | in | 9.6335 | Saltbr-out | 3.6123 | HRD-out | -79.17, 82.22 | -59.96, 8.89 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0256 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -148.14, -27.51 | APE9-dihe-na | -104.44, 148.12 | APE8-dihe-in | -51.45, 137.55 | APE8-rot-in | 306.02 | APE67-dihe-in | -70.5, -21.3 | -54.61, -36.19 | APE12-dist-out | 14.2984 | APE11-dist-in | 12.2112 | APE10-dist-in | 7.469 | APE9-dist-in | 3.7666 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | E | 351.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 9FMRH | Q9NYV4 | 714 | 1044 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 6.8012 | 14.6033 | ABAminus | -113.95, -78.4 | -84.85, 124.02 | -118.87, 17.95 | 291.29, 89.7 | -63.88, -35.4 | in-in | in | 8.5917 | Saltbr-in | 3.5517 | HRD-in | -72.47, -40.65 | 59.82, 5.57 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9439 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.74, -27.71 | APE9-dihe-na | -103.25, 148.34 | APE8-dihe-in | -51.07, 136.63 | APE8-rot-in | 306.14 | APE67-dihe-in | -69.99, -21.15 | -54.39, -34.8 | APE12-dist-in | 13.8232 | APE11-dist-in | 12.0979 | APE10-dist-in | 7.2545 | APE9-dist-in | 3.6076 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | H | 351.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 9FMRB | Q9NYV4 | 714 | 1047 | 1490.0 | RMF:61101 | Type1 | Inactive | DFGin | 7.1242 | 15.0312 | None | -111.49, -74.26 | -77.99, -72.15 | 68.85, 12.84 | 296.16, 89.8 | -66.22, -36.51 | in-out | in | 8.3316 | Saltbr-out | 4.4499 | HRD-in | -70.8, -35.56 | 62.81, 1.22 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0722 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.03, -25.75 | APE9-dihe-na | -103.56, 146.88 | APE8-dihe-in | -51.72, 138.27 | APE8-rot-in | 305.58 | APE67-dihe-in | -69.51, -21.36 | -53.61, -35.19 | APE12-dist-in | 13.9874 | APE11-dist-in | 12.2701 | APE10-dist-in | 7.331 | APE9-dist-in | 3.8645 | None | TPO893 | TPO893 | XRAY | 3.9 | 0.209 | 0.25 | B | 351.0 | 334.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 9fmr | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 |
|---|