| 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 | 8BUCB | Q9NYV4 | 715 | 1041 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 6.8353 | 15.4949 | ABAminus | -130.47, -49.88 | -100.7, 87.88 | -87.1, 28.61 | 287.17, 76.07 | -67.87, -32.97 | in-in | in | 8.1269 | Saltbr-in | 2.9277 | HRD-in | -72.49, -52.56 | 71.47, 1.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8266 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.68, -53.4 | APE9-dihe-na | -81.9, 152.03 | APE8-dihe-in | -63.34, 145.38 | APE8-rot-out | 183.29 | APE67-dihe-in | -65.1, -32.1 | -54.44, -34.81 | APE12-dist-in | 13.2337 | APE11-dist-in | 11.4246 | APE10-dist-in | 6.5603 | APE9-dist-in | 3.6129 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 | 8BUCE | Q9NYV4 | 715 | 1039 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 7.2362 | 15.3346 | BLAminus | -141.04, 176.79 | 52.98, 78.31 | -91.94, 30.22 | 286.84, 76.41 | -65.41, -31.19 | in-in | in | 7.9609 | Saltbr-in | 2.9083 | HRD-in | -69.25, -49.18 | 71.49, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8699 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -94.07, -41.15 | APE9-dihe-na | -76.31, 151.65 | APE8-dihe-in | -63.11, 145.53 | APE8-rot-out | 179.86 | APE67-dihe-in | -66.95, -27.99 | -55.33, -37.54 | APE12-dist-in | 12.9962 | APE11-dist-in | 12.5405 | APE10-dist-in | 6.8001 | APE9-dist-in | 3.4636 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 | 8BUCH | Q9NYV4 | 715 | 1044 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 6.938 | 15.2425 | None | -126.85, -64.01 | -88.43, 98.06 | -96.23, 24.88 | 287.21, 69.27 | -75.34, -9.66 | in-in | in | 7.9464 | Saltbr-in | 3.3005 | HRD-in | -84.47, -51.91 | 75.61, -7.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9789 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.44, -52.72 | APE9-dihe-na | -81.82, 150.47 | APE8-dihe-in | -58.85, 136.79 | APE8-rot-in | 300.83 | APE67-dihe-in | -60.33, -38.14 | -49.32, -40.23 | APE12-dist-in | 13.7625 | APE11-dist-in | 11.7819 | APE10-dist-in | 6.9727 | APE9-dist-in | 3.2597 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 | 8BUCB | Q9NYV4 | 715 | 1041 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 6.8353 | 15.4949 | ABAminus | -130.47, -49.88 | -100.7, 87.88 | -87.1, 28.61 | 287.17, 76.07 | -67.87, -32.97 | in-in | in | 8.1269 | Saltbr-in | 2.9277 | HRD-in | -72.49, -52.56 | 71.47, 1.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8266 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.68, -53.4 | APE9-dihe-na | -81.9, 152.03 | APE8-dihe-in | -63.34, 145.38 | APE8-rot-out | 183.29 | APE67-dihe-in | -65.1, -32.1 | -54.44, -34.81 | APE12-dist-in | 13.2337 | APE11-dist-in | 11.4246 | APE10-dist-in | 6.5603 | APE9-dist-in | 3.6129 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 | 8BUCE | Q9NYV4 | 715 | 1039 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 7.2362 | 15.3346 | BLAminus | -141.04, 176.79 | 52.98, 78.31 | -91.94, 30.22 | 286.84, 76.41 | -65.41, -31.19 | in-in | in | 7.9609 | Saltbr-in | 2.9083 | HRD-in | -69.25, -49.18 | 71.49, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8699 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -94.07, -41.15 | APE9-dihe-na | -76.31, 151.65 | APE8-dihe-in | -63.11, 145.53 | APE8-rot-out | 179.86 | APE67-dihe-in | -66.95, -27.99 | -55.33, -37.54 | APE12-dist-in | 12.9962 | APE11-dist-in | 12.5405 | APE10-dist-in | 6.8001 | APE9-dist-in | 3.4636 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 | 8BUCH | Q9NYV4 | 715 | 1044 | 1490.0 | RKO:61101 | Type1 | Inactive | DFGin | 6.938 | 15.2425 | None | -126.85, -64.01 | -88.43, 98.06 | -96.23, 24.88 | 287.21, 69.27 | -75.34, -9.66 | in-in | in | 7.9464 | Saltbr-in | 3.3005 | HRD-in | -84.47, -51.91 | 75.61, -7.74 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9789 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.44, -52.72 | APE9-dihe-na | -81.82, 150.47 | APE8-dihe-in | -58.85, 136.79 | APE8-rot-in | 300.83 | APE67-dihe-in | -60.33, -38.14 | -49.32, -40.23 | APE12-dist-in | 13.7625 | APE11-dist-in | 11.7819 | APE10-dist-in | 6.9727 | APE9-dist-in | 3.2597 | K965R | TPO893 | TPO893 | XRAY | 3.85 | 0.183 | 0.224 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buc | 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 |
|---|