| 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 | 8BUQB | Q9NYV4 | 715 | 1039 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 6.9128 | 15.3011 | BLAminus | -151.69, -179.79 | 53.5, 72.83 | -94.44, 24.81 | 291.0, 75.32 | -66.25, -27.07 | in-in | in | 8.2723 | Saltbr-in | 3.3021 | HRD-in | -68.63, -54.73 | 77.99, 1.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9427 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -111.29, -38.77 | APE9-dihe-na | -81.13, 155.19 | APE8-dihe-in | -64.33, 147.28 | APE8-rot-out | 195.9 | APE67-dihe-in | -60.12, -28.17 | -56.8, -43.77 | APE12-dist-in | 13.5591 | APE11-dist-in | 12.0036 | APE10-dist-in | 6.4297 | APE9-dist-in | 3.5058 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | B | 344.0 | 321.0 | 4 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 | 8BUQE | Q9NYV4 | 715 | 1027 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 7.3625 | 15.3415 | BLAminus | -149.68, 178.7 | 52.88, 71.39 | -93.43, 23.22 | 287.54, 76.39 | -69.29, -26.75 | in-in | in | 8.1446 | Saltbr-in | 3.1498 | HRD-in | -69.4, -56.77 | 77.16, 3.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0159 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -114.18, -38.9 | APE9-dihe-na | -82.51, 153.34 | APE8-dihe-in | -63.97, 150.36 | APE8-rot-out | 173.3 | APE67-dihe-in | -60.97, -26.14 | -55.24, -44.87 | APE12-dist-in | 13.1923 | APE11-dist-in | 12.4633 | APE10-dist-in | 6.9357 | APE9-dist-in | 3.3361 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | E | 344.0 | 313.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 | 8BUQH | Q9NYV4 | 715 | 1035 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 6.8471 | 15.4131 | None | -139.0, -68.9 | -74.65, 86.14 | -87.77, 25.62 | 285.6, 75.05 | -68.98, -27.88 | in-in | in | 8.1409 | Saltbr-in | 3.3418 | HRD-in | -71.56, -55.82 | 75.32, -0.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.808 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -115.77, -46.85 | APE9-dihe-na | -88.37, 155.15 | APE8-dihe-in | -63.62, 147.91 | APE8-rot-out | 74.55 | APE67-dihe-in | -59.91, -28.34 | -56.29, -43.5 | APE12-dist-in | 13.7059 | APE11-dist-in | 11.9801 | APE10-dist-in | 7.0593 | APE9-dist-in | 3.5434 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | H | 344.0 | 321.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 | 8BUQB | Q9NYV4 | 715 | 1039 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 6.9128 | 15.3011 | BLAminus | -151.69, -179.79 | 53.5, 72.83 | -94.44, 24.81 | 291.0, 75.32 | -66.25, -27.07 | in-in | in | 8.2723 | Saltbr-in | 3.3021 | HRD-in | -68.63, -54.73 | 77.99, 1.83 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9427 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -111.29, -38.77 | APE9-dihe-na | -81.13, 155.19 | APE8-dihe-in | -64.33, 147.28 | APE8-rot-out | 195.9 | APE67-dihe-in | -60.12, -28.17 | -56.8, -43.77 | APE12-dist-in | 13.5591 | APE11-dist-in | 12.0036 | APE10-dist-in | 6.4297 | APE9-dist-in | 3.5058 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | B | 344.0 | 321.0 | 4 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 | 8BUQE | Q9NYV4 | 715 | 1027 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 7.3625 | 15.3415 | BLAminus | -149.68, 178.7 | 52.88, 71.39 | -93.43, 23.22 | 287.54, 76.39 | -69.29, -26.75 | in-in | in | 8.1446 | Saltbr-in | 3.1498 | HRD-in | -69.4, -56.77 | 77.16, 3.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0159 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -114.18, -38.9 | APE9-dihe-na | -82.51, 153.34 | APE8-dihe-in | -63.97, 150.36 | APE8-rot-out | 173.3 | APE67-dihe-in | -60.97, -26.14 | -55.24, -44.87 | APE12-dist-in | 13.1923 | APE11-dist-in | 12.4633 | APE10-dist-in | 6.9357 | APE9-dist-in | 3.3361 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | E | 344.0 | 313.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 | 8BUQH | Q9NYV4 | 715 | 1035 | 1490.0 | RQ9:61101 | Type1 | Inactive | DFGin | 6.8471 | 15.4131 | None | -139.0, -68.9 | -74.65, 86.14 | -87.77, 25.62 | 285.6, 75.05 | -68.98, -27.88 | in-in | in | 8.1409 | Saltbr-in | 3.3418 | HRD-in | -71.56, -55.82 | 75.32, -0.25 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.808 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -115.77, -46.85 | APE9-dihe-na | -88.37, 155.15 | APE8-dihe-in | -63.62, 147.91 | APE8-rot-out | 74.55 | APE67-dihe-in | -59.91, -28.34 | -56.29, -43.5 | APE12-dist-in | 13.7059 | APE11-dist-in | 11.9801 | APE10-dist-in | 7.0593 | APE9-dist-in | 3.5434 | K965R | TPO893 | TPO893 | XRAY | 3.2 | 0.196 | 0.216 | H | 344.0 | 321.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buq | 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 |
|---|