| 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 | 8BU7B | Q9NYV4 | 715 | 1043 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 7.0774 | 15.5436 | BLAminus | -153.2, -179.33 | 57.0, 56.86 | -76.66, 35.76 | 288.9, 72.8 | -62.53, -36.58 | in-in | in | 7.9444 | Saltbr-in | 2.9696 | HRD-in | -65.11, -49.8 | 70.58, 2.94 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9018 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -112.3, -42.09 | APE9-dihe-na | -92.76, 146.08 | APE8-dihe-in | -61.7, 141.25 | APE8-rot-in | 286.85 | APE67-dihe-in | -64.16, -31.94 | -48.15, -39.73 | APE12-dist-in | 12.7959 | APE11-dist-in | 11.3036 | APE10-dist-in | 6.4396 | APE9-dist-in | 3.7225 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 | 8BU7H | Q9NYV4 | 715 | 1043 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.9253 | 15.2163 | BLAminus | -150.49, -178.12 | 60.69, 55.85 | -80.72, 28.91 | 286.49, 71.19 | -68.37, -37.18 | in-in | in | 7.9973 | Saltbr-in | 3.1269 | HRD-in | -67.99, -49.39 | 67.61, 1.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.1, -50.99 | APE9-dihe-na | -89.61, 147.06 | APE8-dihe-in | -59.45, 144.95 | APE8-rot-in | 311.35 | APE67-dihe-in | -64.87, -31.1 | -48.4, -40.63 | APE12-dist-in | 13.8207 | APE11-dist-in | 11.6376 | APE10-dist-in | 7.151 | APE9-dist-in | 3.5678 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 | 8BU7E | Q9NYV4 | 715 | 1043 | 1490.0 | RS5:1101 | Type1 | Inactive | DFGin | 6.9129 | 15.3311 | BLAminus | -151.87, 179.81 | 58.39, 58.15 | -75.44, 35.18 | 288.34, 71.23 | -65.18, -38.03 | in-in | in | 7.7566 | Saltbr-in | 2.771 | HRD-in | -65.82, -48.21 | 71.8, 2.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8804 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -76.27, -35.49 | APE9-dihe-na | -79.69, 146.79 | APE8-dihe-in | -61.33, 142.24 | APE8-rot-out | 178.46 | APE67-dihe-in | -63.9, -29.29 | -50.85, -42.32 | APE12-dist-in | 12.5269 | APE11-dist-in | 12.3359 | APE10-dist-in | 6.449 | APE9-dist-in | 3.4892 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 | 8BU7B | Q9NYV4 | 715 | 1043 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 7.0774 | 15.5436 | BLAminus | -153.2, -179.33 | 57.0, 56.86 | -76.66, 35.76 | 288.9, 72.8 | -62.53, -36.58 | in-in | in | 7.9444 | Saltbr-in | 2.9696 | HRD-in | -65.11, -49.8 | 70.58, 2.94 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9018 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -112.3, -42.09 | APE9-dihe-na | -92.76, 146.08 | APE8-dihe-in | -61.7, 141.25 | APE8-rot-in | 286.85 | APE67-dihe-in | -64.16, -31.94 | -48.15, -39.73 | APE12-dist-in | 12.7959 | APE11-dist-in | 11.3036 | APE10-dist-in | 6.4396 | APE9-dist-in | 3.7225 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 | 8BU7H | Q9NYV4 | 715 | 1043 | 1490.0 | No_ligand | No_ligand | Active | DFGin | 6.9253 | 15.2163 | BLAminus | -150.49, -178.12 | 60.69, 55.85 | -80.72, 28.91 | 286.49, 71.19 | -68.37, -37.18 | in-in | in | 7.9973 | Saltbr-in | 3.1269 | HRD-in | -67.99, -49.39 | 67.61, 1.86 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9304 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -132.1, -50.99 | APE9-dihe-na | -89.61, 147.06 | APE8-dihe-in | -59.45, 144.95 | APE8-rot-in | 311.35 | APE67-dihe-in | -64.87, -31.1 | -48.4, -40.63 | APE12-dist-in | 13.8207 | APE11-dist-in | 11.6376 | APE10-dist-in | 7.151 | APE9-dist-in | 3.5678 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 | 8BU7E | Q9NYV4 | 715 | 1043 | 1490.0 | RS5:1101 | Type1 | Inactive | DFGin | 6.9129 | 15.3311 | BLAminus | -151.87, 179.81 | 58.39, 58.15 | -75.44, 35.18 | 288.34, 71.23 | -65.18, -38.03 | in-in | in | 7.7566 | Saltbr-in | 2.771 | HRD-in | -65.82, -48.21 | 71.8, 2.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8804 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -76.27, -35.49 | APE9-dihe-na | -79.69, 146.79 | APE8-dihe-in | -61.33, 142.24 | APE8-rot-out | 178.46 | APE67-dihe-in | -63.9, -29.29 | -50.85, -42.32 | APE12-dist-in | 12.5269 | APE11-dist-in | 12.3359 | APE10-dist-in | 6.449 | APE9-dist-in | 3.4892 | K965R | TPO893 | TPO893 | XRAY | 3.245 | 0.193 | 0.219 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu7 | 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 |
|---|