| 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 | AF-Q9NYV4-K1A | Q9NYV4 | 719 | 1028 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.7425 | 15.0213 | BLAminus | -135.31, 176.11 | 57.83, 65.7 | -78.9, 19.02 | 283.91, 75.49 | -59.53, -34.42 | in-in | in | 8.8479 | Saltbr-in | 2.8717 | HRD-in | -74.38, -50.97 | 65.06, 11.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9537 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.35, 171.85 | APE9-dihe-na | 62.69, 132.06 | APE8-dihe-in | -56.47, 137.03 | APE8-rot-in | 300.21 | APE67-dihe-in | -68.24, -22.81 | -49.07, -40.83 | APE12-dist-in | 13.0672 | APE11-dist-in | 11.1954 | APE10-dist-in | 6.6339 | APE9-dist-in | 3.3445 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | AF-Q9NYV4-K1 | CMGC_CDK12_HUMAN | CMGC | 1.8e-84 | 289.4 | 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 | AF-Q9NYV4-K3A | Q9NYV4 | 719 | 1028 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.9432 | 15.648 | BLAminus | -131.2, -179.25 | 62.41, 52.03 | -71.34, 9.91 | 284.98, 77.79 | -61.92, -24.64 | in-in | in | 8.4488 | Saltbr-in | 3.0263 | HRD-in | -78.33, -50.25 | 65.94, 8.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9006 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.81, 169.8 | APE9-dihe-na | 61.73, 134.8 | APE8-dihe-in | -58.63, 136.64 | APE8-rot-in | 295.26 | APE67-dihe-in | -64.98, -27.17 | -49.82, -42.02 | APE12-dist-in | 13.4806 | APE11-dist-in | 11.6092 | APE10-dist-in | 7.1738 | APE9-dist-in | 3.2099 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | AF-Q9NYV4-K3 | CMGC_CDK12_HUMAN | CMGC | 1.8e-84 | 289.4 | 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 | AF-Q9NYV4-K1A | Q9NYV4 | 719 | 1028 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.7425 | 15.0213 | BLAminus | -135.31, 176.11 | 57.83, 65.7 | -78.9, 19.02 | 283.91, 75.49 | -59.53, -34.42 | in-in | in | 8.8479 | Saltbr-in | 2.8717 | HRD-in | -74.38, -50.97 | 65.06, 11.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9537 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.35, 171.85 | APE9-dihe-na | 62.69, 132.06 | APE8-dihe-in | -56.47, 137.03 | APE8-rot-in | 300.21 | APE67-dihe-in | -68.24, -22.81 | -49.07, -40.83 | APE12-dist-in | 13.0672 | APE11-dist-in | 11.1954 | APE10-dist-in | 6.6339 | APE9-dist-in | 3.3445 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | AF-Q9NYV4-K1 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 1.8e-84 | 289.4 | 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 | AF-Q9NYV4-K3A | Q9NYV4 | 719 | 1028 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.9432 | 15.648 | BLAminus | -131.2, -179.25 | 62.41, 52.03 | -71.34, 9.91 | 284.98, 77.79 | -61.92, -24.64 | in-in | in | 8.4488 | Saltbr-in | 3.0263 | HRD-in | -78.33, -50.25 | 65.94, 8.6 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9006 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.81, 169.8 | APE9-dihe-na | 61.73, 134.8 | APE8-dihe-in | -58.63, 136.64 | APE8-rot-in | 295.26 | APE67-dihe-in | -64.98, -27.17 | -49.82, -42.02 | APE12-dist-in | 13.4806 | APE11-dist-in | 11.6092 | APE10-dist-in | 7.1738 | APE9-dist-in | 3.2099 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | AF-Q9NYV4-K3 | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 1.8e-84 | 289.4 | 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 |
|---|