| 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 | 8BUSH | Q9NYV4 | 715 | 1044 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 6.901 | 15.0688 | ABAminus | -143.82, 12.24 | -131.03, 98.54 | -110.73, 33.01 | 294.28, 70.2 | -74.22, -18.61 | in-in | in | 7.9468 | Saltbr-in | 3.1237 | HRD-in | -74.26, -49.18 | 68.04, 9.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8467 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -102.73, -48.18 | APE9-dihe-na | -92.8, 152.41 | APE8-dihe-in | -59.01, 141.68 | APE8-rot-in | 303.45 | APE67-dihe-in | -64.79, -31.26 | -52.5, -37.48 | APE12-dist-in | 13.6606 | APE11-dist-in | 11.9862 | APE10-dist-in | 7.1999 | APE9-dist-in | 3.7373 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 | 8BUSB | Q9NYV4 | 715 | 1039 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 7.0766 | 15.7189 | BLAminus | -138.42, 166.28 | 73.44, 73.47 | -93.1, 22.82 | 287.17, 80.09 | -62.57, -33.79 | in-in | in | 8.5069 | Saltbr-in | 3.3151 | HRD-in | -69.35, -51.21 | 75.34, 13.48 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0197 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -86.75, -38.52 | APE9-dihe-na | -91.11, 154.59 | APE8-dihe-in | -64.35, 150.44 | APE8-rot-out | 197.48 | APE67-dihe-in | -56.11, -29.02 | -59.98, -43.72 | APE12-dist-in | 12.9904 | APE11-dist-in | 12.5587 | APE10-dist-in | 6.9784 | APE9-dist-in | 3.8707 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 | 8BUSE | Q9NYV4 | 715 | 1043 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 6.7257 | 15.8693 | None | -132.84, -50.43 | -84.41, 82.25 | -87.45, 22.35 | 281.7, 77.83 | -63.73, -33.79 | in-in | in | 8.1583 | Saltbr-in | 3.2823 | HRD-in | -70.71, -48.94 | 71.36, 12.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9956 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -96.11, -47.21 | APE9-dihe-na | -97.32, 150.19 | APE8-dihe-in | -67.32, 151.1 | APE8-rot-out | 195.8 | APE67-dihe-in | -58.67, -27.66 | -56.54, -42.34 | APE12-dist-in | 13.2846 | APE11-dist-in | 11.3926 | APE10-dist-in | 7.3398 | APE9-dist-in | 3.4564 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 | 8BUSH | Q9NYV4 | 715 | 1044 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 6.901 | 15.0688 | ABAminus | -143.82, 12.24 | -131.03, 98.54 | -110.73, 33.01 | 294.28, 70.2 | -74.22, -18.61 | in-in | in | 7.9468 | Saltbr-in | 3.1237 | HRD-in | -74.26, -49.18 | 68.04, 9.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8467 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -102.73, -48.18 | APE9-dihe-na | -92.8, 152.41 | APE8-dihe-in | -59.01, 141.68 | APE8-rot-in | 303.45 | APE67-dihe-in | -64.79, -31.26 | -52.5, -37.48 | APE12-dist-in | 13.6606 | APE11-dist-in | 11.9862 | APE10-dist-in | 7.1999 | APE9-dist-in | 3.7373 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 | 8BUSB | Q9NYV4 | 715 | 1039 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 7.0766 | 15.7189 | BLAminus | -138.42, 166.28 | 73.44, 73.47 | -93.1, 22.82 | 287.17, 80.09 | -62.57, -33.79 | in-in | in | 8.5069 | Saltbr-in | 3.3151 | HRD-in | -69.35, -51.21 | 75.34, 13.48 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0197 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -86.75, -38.52 | APE9-dihe-na | -91.11, 154.59 | APE8-dihe-in | -64.35, 150.44 | APE8-rot-out | 197.48 | APE67-dihe-in | -56.11, -29.02 | -59.98, -43.72 | APE12-dist-in | 12.9904 | APE11-dist-in | 12.5587 | APE10-dist-in | 6.9784 | APE9-dist-in | 3.8707 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 | 8BUSE | Q9NYV4 | 715 | 1043 | 1490.0 | RMX:1101 | Type1 | Inactive | DFGin | 6.7257 | 15.8693 | None | -132.84, -50.43 | -84.41, 82.25 | -87.45, 22.35 | 281.7, 77.83 | -63.73, -33.79 | in-in | in | 8.1583 | Saltbr-in | 3.2823 | HRD-in | -70.71, -48.94 | 71.36, 12.53 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9956 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -96.11, -47.21 | APE9-dihe-na | -97.32, 150.19 | APE8-dihe-in | -67.32, 151.1 | APE8-rot-out | 195.8 | APE67-dihe-in | -58.67, -27.66 | -56.54, -42.34 | APE12-dist-in | 13.2846 | APE11-dist-in | 11.3926 | APE10-dist-in | 7.3398 | APE9-dist-in | 3.4564 | K965R | TPO893 | TPO893 | XRAY | 3.26 | 0.209 | 0.228 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bus | 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 |
|---|