| 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 | 4CXAA | Q9NYV4 | 718 | 1050 | 1490.0 | ANP:2051 | ATPlike | Inactive | DFGin | 6.4362 | 15.0223 | BLAminus | -127.47, 178.63 | 59.83, 84.78 | -103.34, 39.58 | 291.64, 72.71 | -78.99, -14.54 | in-in | in | 8.1775 | Saltbr-in | 2.5134 | HRD-in | -89.68, -50.66 | 63.81, 17.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7933 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.43, 159.2 | APE9-dihe-na | 63.92, 139.76 | APE8-dihe-in | -56.37, 145.01 | APE8-rot-out | 63.76 | APE67-dihe-in | -64.68, -22.99 | -55.23, -40.79 | APE12-dist-in | 13.2123 | APE11-dist-in | 11.6623 | APE10-dist-in | 7.3626 | APE9-dist-in | 3.5055 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.224 | 0.279 | A | 340.0 | 330.0 | 3 | 29 | 28 | 1 | [[727, 1020]] | 1.0 | 4cxa | 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 | 4CXAC | Q9NYV4 | 718 | 1048 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1995 | 15.2477 | BLAminus | -126.07, 177.23 | 58.72, 82.97 | -102.36, 37.62 | 286.53, 69.22 | -80.81, -13.97 | in-none | in | 8.0455 | Saltbr-none | 999.0 | HRD-in | -86.15, -47.73 | 62.33, 17.56 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0475 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.86, 161.73 | APE9-dihe-na | 68.73, 142.31 | APE8-dihe-in | -55.95, 146.27 | APE8-rot-out | 63.52 | APE67-dihe-in | -66.87, -27.84 | -54.72, -39.98 | APE12-dist-in | 13.1798 | APE11-dist-in | 11.907 | APE10-dist-in | 7.4808 | APE9-dist-in | 3.5773 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.224 | 0.279 | C | 340.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4cxa | 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 | 4CXAA | Q9NYV4 | 718 | 1050 | 1490.0 | ANP:2051 | ATPlike | Inactive | DFGin | 6.4362 | 15.0223 | BLAminus | -127.47, 178.63 | 59.83, 84.78 | -103.34, 39.58 | 291.64, 72.71 | -78.99, -14.54 | in-in | in | 8.1775 | Saltbr-in | 2.5134 | HRD-in | -89.68, -50.66 | 63.81, 17.68 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7933 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.43, 159.2 | APE9-dihe-na | 63.92, 139.76 | APE8-dihe-in | -56.37, 145.01 | APE8-rot-out | 63.76 | APE67-dihe-in | -64.68, -22.99 | -55.23, -40.79 | APE12-dist-in | 13.2123 | APE11-dist-in | 11.6623 | APE10-dist-in | 7.3626 | APE9-dist-in | 3.5055 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.224 | 0.279 | A | 340.0 | 330.0 | 3 | 29 | 28 | 1 | [[727, 1020]] | 1.0 | 4cxa | 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 | 4CXAC | Q9NYV4 | 718 | 1048 | 1490.0 | No_ligand | No_ligand | Inactive | DFGin | 7.1995 | 15.2477 | BLAminus | -126.07, 177.23 | 58.72, 82.97 | -102.36, 37.62 | 286.53, 69.22 | -80.81, -13.97 | in-none | in | 8.0455 | Saltbr-none | 999.0 | HRD-in | -86.15, -47.73 | 62.33, 17.56 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0475 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -113.86, 161.73 | APE9-dihe-na | 68.73, 142.31 | APE8-dihe-in | -55.95, 146.27 | APE8-rot-out | 63.52 | APE67-dihe-in | -66.87, -27.84 | -54.72, -39.98 | APE12-dist-in | 13.1798 | APE11-dist-in | 11.907 | APE10-dist-in | 7.4808 | APE9-dist-in | 3.5773 | None | TPO893 | TPO893 | XRAY | 3.15 | 0.224 | 0.279 | C | 340.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 4cxa | 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 |
|---|