| 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 | 6TD3B | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Inactive | DFGin | 7.0715 | 15.3763 | BLAminus | -144.85, 177.87 | 66.18, 66.81 | -86.27, 29.11 | 284.0, 81.86 | -68.57, -26.95 | in-in | in | 7.9403 | Saltbr-in | 3.0983 | HRD-in | -75.0, -46.5 | 66.33, 3.67 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9625 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.74, 152.33 | APE9-dihe-na | 70.44, 153.31 | APE8-dihe-in | -72.7, 152.08 | APE8-rot-out | 190.09 | APE67-dihe-in | -62.32, -35.85 | -49.81, -38.44 | APE12-dist-in | 13.58 | APE11-dist-in | 10.9935 | APE10-dist-in | 7.1532 | APE9-dist-in | 3.6429 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | B | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 | 6TD3E | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Active | DFGin | 7.044 | 15.1934 | BLAminus | -147.32, 173.39 | 63.76, 65.42 | -84.24, 25.56 | 288.49, 76.82 | -64.44, -36.48 | in-in | in | 7.9743 | Saltbr-in | 3.1673 | HRD-in | -75.19, -47.55 | 67.28, 2.07 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9532 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -75.91, -39.12 | APE9-dihe-na | -86.17, 150.74 | APE8-dihe-in | -63.73, 141.42 | APE8-rot-in | 305.37 | APE67-dihe-in | -59.47, -32.88 | -40.08, -54.92 | APE12-dist-in | 13.1756 | APE11-dist-in | 11.9025 | APE10-dist-in | 6.8549 | APE9-dist-in | 3.4348 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | E | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 | 6TD3H | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Inactive | DFGin | 7.0079 | 15.0671 | BLAminus | -125.85, 165.87 | 77.73, 76.18 | -92.06, 29.13 | 290.22, 73.9 | -71.24, -38.15 | in-in | in | 7.8983 | Saltbr-in | 3.0731 | HRD-in | -75.01, -45.87 | 63.18, 11.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.959 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -152.2, 169.13 | APE9-dihe-na | 75.43, 19.72 | APE8-dihe-out | 60.33, 162.48 | APE8-rot-out | 98.13 | APE67-dihe-in | -64.24, -27.06 | -78.21, -44.67 | APE12-dist-in | 13.9046 | APE11-dist-in | 11.9021 | APE10-dist-in | 7.407 | APE9-dist-in | 3.189 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | H | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 | 6TD3B | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Inactive | DFGin | 7.0715 | 15.3763 | BLAminus | -144.85, 177.87 | 66.18, 66.81 | -86.27, 29.11 | 284.0, 81.86 | -68.57, -26.95 | in-in | in | 7.9403 | Saltbr-in | 3.0983 | HRD-in | -75.0, -46.5 | 66.33, 3.67 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9625 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -130.74, 152.33 | APE9-dihe-na | 70.44, 153.31 | APE8-dihe-in | -72.7, 152.08 | APE8-rot-out | 190.09 | APE67-dihe-in | -62.32, -35.85 | -49.81, -38.44 | APE12-dist-in | 13.58 | APE11-dist-in | 10.9935 | APE10-dist-in | 7.1532 | APE9-dist-in | 3.6429 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | B | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 | 6TD3E | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Active | DFGin | 7.044 | 15.1934 | BLAminus | -147.32, 173.39 | 63.76, 65.42 | -84.24, 25.56 | 288.49, 76.82 | -64.44, -36.48 | in-in | in | 7.9743 | Saltbr-in | 3.1673 | HRD-in | -75.19, -47.55 | 67.28, 2.07 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9532 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -75.91, -39.12 | APE9-dihe-na | -86.17, 150.74 | APE8-dihe-in | -63.73, 141.42 | APE8-rot-in | 305.37 | APE67-dihe-in | -59.47, -32.88 | -40.08, -54.92 | APE12-dist-in | 13.1756 | APE11-dist-in | 11.9025 | APE10-dist-in | 6.8549 | APE9-dist-in | 3.4348 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | E | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 | 6TD3H | Q9NYV4 | 715 | 1047 | 1490.0 | RC8:1101 | Type1 | Inactive | DFGin | 7.0079 | 15.0671 | BLAminus | -125.85, 165.87 | 77.73, 76.18 | -92.06, 29.13 | 290.22, 73.9 | -71.24, -38.15 | in-in | in | 7.8983 | Saltbr-in | 3.0731 | HRD-in | -75.01, -45.87 | 63.18, 11.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.959 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iiii | APE10-dihe-na | -152.2, 169.13 | APE9-dihe-na | 75.43, 19.72 | APE8-dihe-out | 60.33, 162.48 | APE8-rot-out | 98.13 | APE67-dihe-in | -64.24, -27.06 | -78.21, -44.67 | APE12-dist-in | 13.9046 | APE11-dist-in | 11.9021 | APE10-dist-in | 7.407 | APE9-dist-in | 3.189 | K965R | TPO893 | TPO893 | XRAY | 3.46 | 0.195 | 0.22 | H | 344.0 | 333.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6td3 | 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 |
|---|