| 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 | 8BUIB | Q9NYV4 | 715 | 1041 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 6.8484 | 15.3849 | ABAminus | -131.36, -62.29 | -89.48, 101.04 | -94.93, 20.15 | 285.65, 74.39 | -62.98, -21.99 | in-in | in | 8.0628 | Saltbr-in | 3.2441 | HRD-out | -78.21, 99.43 | -82.66, -35.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1675 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -110.84, -19.18 | APE9-dihe-na | -128.33, 156.07 | APE8-dihe-in | -65.63, 140.55 | APE8-rot-in | 297.93 | APE67-dihe-in | -59.87, -34.95 | -53.39, -43.04 | APE12-dist-in | 13.3654 | APE11-dist-in | 10.9607 | APE10-dist-in | 7.2526 | APE9-dist-in | 4.181 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 | 8BUIH | Q9NYV4 | 715 | 1038 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 6.9697 | 15.2814 | ABAminus | -131.92, -50.63 | -89.53, 95.29 | -98.99, 14.99 | 287.64, 76.53 | -67.14, -30.95 | in-in | in | 8.1508 | Saltbr-in | 3.2771 | HRD-out | -79.19, 77.36 | -62.47, -39.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9931 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.57, -18.14 | APE9-dihe-na | -112.45, 157.67 | APE8-dihe-in | -65.3, 140.25 | APE8-rot-in | 297.23 | APE67-dihe-in | -58.21, -35.12 | -53.14, -43.81 | APE12-dist-in | 13.665 | APE11-dist-in | 11.5249 | APE10-dist-in | 7.0045 | APE9-dist-in | 3.8741 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | H | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 | 8BUIE | Q9NYV4 | 715 | 1039 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 7.5392 | 15.5582 | BLAminus | -143.87, -178.18 | 39.61, 79.76 | -92.26, 22.29 | 284.74, 80.02 | -58.61, -17.16 | in-out | in | 8.1098 | Saltbr-out | 3.7147 | HRD-out | -75.62, 149.49 | -131.37, 158.61 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1665 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | -99.18, -17.3 | APE9-dihe-na | -88.48, 155.1 | APE8-dihe-in | -64.43, 139.92 | APE8-rot-out | 15.61 | APE67-dihe-in | -61.18, -34.77 | -50.17, -41.15 | APE12-dist-in | 13.0189 | APE11-dist-in | 12.9143 | APE10-dist-in | 7.0194 | APE9-dist-out | 6.0272 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 | 8BUIB | Q9NYV4 | 715 | 1041 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 6.8484 | 15.3849 | ABAminus | -131.36, -62.29 | -89.48, 101.04 | -94.93, 20.15 | 285.65, 74.39 | -62.98, -21.99 | in-in | in | 8.0628 | Saltbr-in | 3.2441 | HRD-out | -78.21, 99.43 | -82.66, -35.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1675 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -110.84, -19.18 | APE9-dihe-na | -128.33, 156.07 | APE8-dihe-in | -65.63, 140.55 | APE8-rot-in | 297.93 | APE67-dihe-in | -59.87, -34.95 | -53.39, -43.04 | APE12-dist-in | 13.3654 | APE11-dist-in | 10.9607 | APE10-dist-in | 7.2526 | APE9-dist-in | 4.181 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 | 8BUIH | Q9NYV4 | 715 | 1038 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 6.9697 | 15.2814 | ABAminus | -131.92, -50.63 | -89.53, 95.29 | -98.99, 14.99 | 287.64, 76.53 | -67.14, -30.95 | in-in | in | 8.1508 | Saltbr-in | 3.2771 | HRD-out | -79.19, 77.36 | -62.47, -39.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9931 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.57, -18.14 | APE9-dihe-na | -112.45, 157.67 | APE8-dihe-in | -65.3, 140.25 | APE8-rot-in | 297.23 | APE67-dihe-in | -58.21, -35.12 | -53.14, -43.81 | APE12-dist-in | 13.665 | APE11-dist-in | 11.5249 | APE10-dist-in | 7.0045 | APE9-dist-in | 3.8741 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | H | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 | 8BUIE | Q9NYV4 | 715 | 1039 | 1490.0 | RV6:1101 | Type1 | Inactive | DFGin | 7.5392 | 15.5582 | BLAminus | -143.87, -178.18 | 39.61, 79.76 | -92.26, 22.29 | 284.74, 80.02 | -58.61, -17.16 | in-out | in | 8.1098 | Saltbr-out | 3.7147 | HRD-out | -75.62, 149.49 | -131.37, 158.61 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1665 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiio | APE10-dihe-na | -99.18, -17.3 | APE9-dihe-na | -88.48, 155.1 | APE8-dihe-in | -64.43, 139.92 | APE8-rot-out | 15.61 | APE67-dihe-in | -61.18, -34.77 | -50.17, -41.15 | APE12-dist-in | 13.0189 | APE11-dist-in | 12.9143 | APE10-dist-in | 7.0194 | APE9-dist-out | 6.0272 | K965R | TPO893 | TPO893 | XRAY | 3.5 | 0.184 | 0.221 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bui | 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 |
|---|