| 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 | 7NXKA | Q9NYV4 | 715 | 1040 | 1490.0 | UUB:2000 | Type1 | Inactive | DFGin | 7.3995 | 15.4871 | ABAminus | -95.46, -72.72 | -129.88, 136.0 | -106.22, 48.24 | 290.77, 75.67 | -65.42, -30.99 | in-none | in | 8.908 | Saltbr-none | 999.0 | HRD-out | -77.5, 146.77 | -128.84, 17.49 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.9696 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -137.63, -48.96 | APE9-dihe-na | -98.39, 153.96 | APE8-dihe-in | -58.36, 147.85 | APE8-rot-out | 42.54 | APE67-dihe-in | -71.34, -26.96 | -59.32, -29.48 | APE12-dist-in | 12.8425 | APE11-dist-in | 11.1162 | APE10-dist-in | 6.7497 | APE9-dist-in | 3.4451 | None | TPO893 | TPO893 | XRAY | 3.0 | 0.222 | 0.264 | A | 351.0 | 322.0 | 4 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 7nxk | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 7NXKC | Q9NYV4 | 717 | 1040 | 1490.0 | UUB:2000 | Type1 | Inactive | DFGin | 7.2388 | 15.3617 | BLAminus | -141.93, -168.1 | 55.29, 66.48 | -89.47, 23.2 | 285.63, 87.42 | -65.95, -22.63 | in-none | in | 9.1644 | Saltbr-none | 999.0 | HRD-in | -59.09, -64.11 | 84.9, -5.29 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0998 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.36, -24.98 | APE9-dihe-na | -111.23, 152.03 | APE8-dihe-in | -58.18, 144.58 | APE8-rot-out | 41.59 | APE67-dihe-in | -69.39, -10.03 | -63.92, -28.51 | APE12-dist-in | 13.0199 | APE11-dist-in | 11.29 | APE10-dist-in | 6.4678 | APE9-dist-in | 3.4673 | None | TPO893 | TPO893 | XRAY | 3.0 | 0.222 | 0.264 | C | 351.0 | 314.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 7nxk | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 7NXKA | Q9NYV4 | 715 | 1040 | 1490.0 | UUB:2000 | Type1 | Inactive | DFGin | 7.3995 | 15.4871 | ABAminus | -95.46, -72.72 | -129.88, 136.0 | -106.22, 48.24 | 290.77, 75.67 | -65.42, -30.99 | in-none | in | 8.908 | Saltbr-none | 999.0 | HRD-out | -77.5, 146.77 | -128.84, 17.49 | none-in-out | SNCnio | in-out | ActLoopNT-in | 2.9696 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -137.63, -48.96 | APE9-dihe-na | -98.39, 153.96 | APE8-dihe-in | -58.36, 147.85 | APE8-rot-out | 42.54 | APE67-dihe-in | -71.34, -26.96 | -59.32, -29.48 | APE12-dist-in | 12.8425 | APE11-dist-in | 11.1162 | APE10-dist-in | 6.7497 | APE9-dist-in | 3.4451 | None | TPO893 | TPO893 | XRAY | 3.0 | 0.222 | 0.264 | A | 351.0 | 322.0 | 4 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 7nxk | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 | 7NXKC | Q9NYV4 | 717 | 1040 | 1490.0 | UUB:2000 | Type1 | Inactive | DFGin | 7.2388 | 15.3617 | BLAminus | -141.93, -168.1 | 55.29, 66.48 | -89.47, 23.2 | 285.63, 87.42 | -65.95, -22.63 | in-none | in | 9.1644 | Saltbr-none | 999.0 | HRD-in | -59.09, -64.11 | 84.9, -5.29 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0998 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -132.36, -24.98 | APE9-dihe-na | -111.23, 152.03 | APE8-dihe-in | -58.18, 144.58 | APE8-rot-out | 41.59 | APE67-dihe-in | -69.39, -10.03 | -63.92, -28.51 | APE12-dist-in | 13.0199 | APE11-dist-in | 11.29 | APE10-dist-in | 6.4678 | APE9-dist-in | 3.4673 | None | TPO893 | TPO893 | XRAY | 3.0 | 0.222 | 0.264 | C | 351.0 | 314.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 7nxk | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.9e-84 | 288.8 | 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 |
|---|