| 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 | 8BUBB | Q9NYV4 | 715 | 1041 | 1490.0 | RNU:61101 | Type1 | Inactive | DFGin | 7.183 | 15.8614 | BLAminus | -140.81, -179.71 | 59.34, 42.69 | -57.7, -43.03 | 281.93, 72.19 | -135.84, 169.59 | in-in | in | 7.8158 | Saltbr-in | 3.0301 | HRD-out | -85.59, 106.33 | -67.25, -35.7 | in-out-out | SNCioo | out-out | ActLoopNT-out | 15.0827 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -58.9, -41.94 | APE9-dihe-na | -63.9, -43.28 | APE8-dihe-out | -57.35, -36.53 | APE8-rot-in | 303.78 | APE67-dihe-in | -55.9, -22.59 | -60.27, -40.25 | APE12-dist-in | 10.517 | APE11-dist-in | 13.5215 | APE10-dist-out | 17.3786 | APE9-dist-out | 11.733 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 | 8BUBE | Q9NYV4 | 715 | 1043 | 1490.0 | RNU:61101 | Type1 | Inactive | DFGin | 7.1209 | 15.7177 | BLAminus | -151.03, 179.83 | 54.33, 46.25 | -61.28, -40.39 | 279.04, 68.48 | -138.85, 169.0 | in-in | in | 8.2609 | Saltbr-in | 2.9133 | HRD-out | -90.61, 99.83 | -68.22, -35.13 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.6238 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -60.24, -43.43 | APE9-dihe-na | -66.88, -44.0 | APE8-dihe-out | -57.36, -41.95 | APE8-rot-in | 294.1 | APE67-dihe-in | -53.67, -21.91 | -61.1, -39.92 | APE12-dist-in | 10.606 | APE11-dist-out | 14.7928 | APE10-dist-out | 17.9151 | APE9-dist-out | 11.2983 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 | 8BUBH | Q9NYV4 | 715 | 1044 | 1490.0 | RNU:61102 | Type1 | Inactive | DFGin | 7.2638 | 15.677 | None | -126.03, -25.89 | -87.61, 72.88 | -91.51, 12.82 | 280.63, 73.67 | -60.75, -39.82 | in-in | in | 8.4819 | Saltbr-in | 3.5525 | HRD-out | -79.78, 93.25 | -67.97, -38.17 | in-out-out | SNCioo | out-out | ActLoopNT-out | 3.72 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiii | APE10-dihe-na | -109.56, -9.94 | APE9-dihe-na | -106.55, 22.31 | APE8-dihe-out | 64.82, 23.4 | APE8-rot-out | 71.99 | APE67-dihe-out | -104.68, -30.69 | 71.46, -1.72 | APE12-dist-in | 12.7113 | APE11-dist-in | 12.093 | APE10-dist-in | 6.8605 | APE9-dist-in | 4.5978 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 | 8BUBB | Q9NYV4 | 715 | 1041 | 1490.0 | RNU:61101 | Type1 | Inactive | DFGin | 7.183 | 15.8614 | BLAminus | -140.81, -179.71 | 59.34, 42.69 | -57.7, -43.03 | 281.93, 72.19 | -135.84, 169.59 | in-in | in | 7.8158 | Saltbr-in | 3.0301 | HRD-out | -85.59, 106.33 | -67.25, -35.7 | in-out-out | SNCioo | out-out | ActLoopNT-out | 15.0827 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -58.9, -41.94 | APE9-dihe-na | -63.9, -43.28 | APE8-dihe-out | -57.35, -36.53 | APE8-rot-in | 303.78 | APE67-dihe-in | -55.9, -22.59 | -60.27, -40.25 | APE12-dist-in | 10.517 | APE11-dist-in | 13.5215 | APE10-dist-out | 17.3786 | APE9-dist-out | 11.733 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 | 8BUBE | Q9NYV4 | 715 | 1043 | 1490.0 | RNU:61101 | Type1 | Inactive | DFGin | 7.1209 | 15.7177 | BLAminus | -151.03, 179.83 | 54.33, 46.25 | -61.28, -40.39 | 279.04, 68.48 | -138.85, 169.0 | in-in | in | 8.2609 | Saltbr-in | 2.9133 | HRD-out | -90.61, 99.83 | -68.22, -35.13 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.6238 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -60.24, -43.43 | APE9-dihe-na | -66.88, -44.0 | APE8-dihe-out | -57.36, -41.95 | APE8-rot-in | 294.1 | APE67-dihe-in | -53.67, -21.91 | -61.1, -39.92 | APE12-dist-in | 10.606 | APE11-dist-out | 14.7928 | APE10-dist-out | 17.9151 | APE9-dist-out | 11.2983 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | E | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 | 8BUBH | Q9NYV4 | 715 | 1044 | 1490.0 | RNU:61102 | Type1 | Inactive | DFGin | 7.2638 | 15.677 | None | -126.03, -25.89 | -87.61, 72.88 | -91.51, 12.82 | 280.63, 73.67 | -60.75, -39.82 | in-in | in | 8.4819 | Saltbr-in | 3.5525 | HRD-out | -79.78, 93.25 | -67.97, -38.17 | in-out-out | SNCioo | out-out | ActLoopNT-out | 3.72 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iiii | APE10-dihe-na | -109.56, -9.94 | APE9-dihe-na | -106.55, 22.31 | APE8-dihe-out | 64.82, 23.4 | APE8-rot-out | 71.99 | APE67-dihe-out | -104.68, -30.69 | 71.46, -1.72 | APE12-dist-in | 12.7113 | APE11-dist-in | 12.093 | APE10-dist-in | 6.8605 | APE9-dist-in | 4.5978 | K965R | TPO893 | TPO893 | XRAY | 3.42 | 0.213 | 0.237 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bub | 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 |
|---|