| 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 | 4NSTA | Q9NYV4 | 716 | 1046 | 1490.0 | ADP:1101 | ATPlike | Inactive | DFGin | 6.9783 | 15.1109 | BLAminus | -127.54, 179.84 | 60.58, 76.06 | -95.3, 23.79 | 283.73, 86.71 | -65.43, -16.77 | in-in | in | 8.9881 | Saltbr-in | 3.0309 | HRD-in | -82.28, -56.37 | 71.8, 9.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9558 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -128.59, 153.12 | APE9-dihe-na | 76.09, 132.29 | APE8-dihe-in | -60.41, 149.83 | APE8-rot-out | 85.48 | APE67-dihe-in | -64.83, -28.79 | -60.07, -39.7 | APE12-dist-in | 13.2466 | APE11-dist-in | 11.2727 | APE10-dist-in | 6.9953 | APE9-dist-in | 3.4606 | None | TPO893 | TPO893 | XRAY | 2.2 | 0.198 | 0.24 | A | 351.0 | 323.0 | 8 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4nst | 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 | 4NSTC | Q9NYV4 | 717 | 1045 | 1490.0 | ADP:1101 | ATPlike | Inactive | DFGin | 6.9718 | 15.1681 | BLAminus | -122.49, -178.57 | 55.97, 75.42 | -92.86, 20.68 | 283.24, 86.31 | -56.98, -20.08 | in-in | in | 8.8631 | Saltbr-in | 2.9569 | HRD-in | -69.12, -51.54 | 66.96, 15.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9277 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.74, 152.42 | APE9-dihe-na | 82.09, 126.12 | APE8-dihe-in | -62.22, 152.62 | APE8-rot-out | 78.32 | APE67-dihe-in | -63.16, -30.08 | -57.73, -42.25 | APE12-dist-in | 13.2024 | APE11-dist-in | 11.2673 | APE10-dist-in | 6.9416 | APE9-dist-in | 3.7053 | None | TPO893 | TPO893 | XRAY | 2.2 | 0.198 | 0.24 | C | 351.0 | 318.0 | 11 | 29 | 28 | 1 | [[727, 1020]] | 1.0 | 4nst | 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 | 4NSTA | Q9NYV4 | 716 | 1046 | 1490.0 | ADP:1101 | ATPlike | Inactive | DFGin | 6.9783 | 15.1109 | BLAminus | -127.54, 179.84 | 60.58, 76.06 | -95.3, 23.79 | 283.73, 86.71 | -65.43, -16.77 | in-in | in | 8.9881 | Saltbr-in | 3.0309 | HRD-in | -82.28, -56.37 | 71.8, 9.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9558 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -128.59, 153.12 | APE9-dihe-na | 76.09, 132.29 | APE8-dihe-in | -60.41, 149.83 | APE8-rot-out | 85.48 | APE67-dihe-in | -64.83, -28.79 | -60.07, -39.7 | APE12-dist-in | 13.2466 | APE11-dist-in | 11.2727 | APE10-dist-in | 6.9953 | APE9-dist-in | 3.4606 | None | TPO893 | TPO893 | XRAY | 2.2 | 0.198 | 0.24 | A | 351.0 | 323.0 | 8 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4nst | 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 | 4NSTC | Q9NYV4 | 717 | 1045 | 1490.0 | ADP:1101 | ATPlike | Inactive | DFGin | 6.9718 | 15.1681 | BLAminus | -122.49, -178.57 | 55.97, 75.42 | -92.86, 20.68 | 283.24, 86.31 | -56.98, -20.08 | in-in | in | 8.8631 | Saltbr-in | 2.9569 | HRD-in | -69.12, -51.54 | 66.96, 15.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9277 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.74, 152.42 | APE9-dihe-na | 82.09, 126.12 | APE8-dihe-in | -62.22, 152.62 | APE8-rot-out | 78.32 | APE67-dihe-in | -63.16, -30.08 | -57.73, -42.25 | APE12-dist-in | 13.2024 | APE11-dist-in | 11.2673 | APE10-dist-in | 6.9416 | APE9-dist-in | 3.7053 | None | TPO893 | TPO893 | XRAY | 2.2 | 0.198 | 0.24 | C | 351.0 | 318.0 | 11 | 29 | 28 | 1 | [[727, 1020]] | 1.0 | 4nst | 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 |
|---|