| 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 | 8BU9H | Q9NYV4 | 715 | 1038 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.8966 | 15.0279 | ABAminus | -130.72, -61.46 | -86.64, 101.77 | -100.72, 17.49 | 288.44, 80.02 | -65.69, -13.23 | in-in | in | 8.1483 | Saltbr-in | 3.5944 | HRD-in | -73.34, -52.41 | 71.89, 3.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7833 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -116.4, -56.59 | APE9-dihe-na | -80.8, 152.68 | APE8-dihe-in | -61.03, 143.88 | APE8-rot-out | 47.91 | APE67-dihe-in | -59.68, -32.23 | -55.45, -41.09 | APE12-dist-in | 13.7228 | APE11-dist-in | 11.9439 | APE10-dist-in | 7.0071 | APE9-dist-in | 3.5232 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | H | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 | 8BU9E | Q9NYV4 | 715 | 1039 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.9943 | 15.2956 | BLAminus | -144.01, 174.3 | 58.02, 76.59 | -92.29, 23.22 | 284.15, 79.53 | -66.56, -16.01 | in-in | in | 7.9265 | Saltbr-in | 2.9785 | HRD-in | -72.29, -52.87 | 75.22, 4.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9527 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -79.11, -41.8 | APE9-dihe-na | -74.19, 150.88 | APE8-dihe-in | -62.82, 143.67 | APE8-rot-out | 166.93 | APE67-dihe-in | -61.65, -28.3 | -55.31, -42.74 | APE12-dist-in | 13.0026 | APE11-dist-in | 12.7132 | APE10-dist-in | 6.8922 | APE9-dist-in | 3.4751 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 | 8BU9B | Q9NYV4 | 715 | 1039 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.8954 | 15.5504 | None | -126.5, -98.68 | -52.95, 118.93 | -112.03, 20.69 | 280.85, 78.53 | -65.13, -14.55 | in-in | in | 8.0334 | Saltbr-in | 3.4619 | HRD-in | -71.08, -52.06 | 74.5, 2.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0383 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.03, -51.01 | APE9-dihe-na | -76.4, 148.49 | APE8-dihe-in | -61.77, 145.89 | APE8-rot-out | 190.86 | APE67-dihe-in | -62.1, -33.32 | -50.51, -38.53 | APE12-dist-in | 13.2624 | APE11-dist-in | 11.7849 | APE10-dist-in | 6.4997 | APE9-dist-in | 3.5775 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 | 8BU9H | Q9NYV4 | 715 | 1038 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.8966 | 15.0279 | ABAminus | -130.72, -61.46 | -86.64, 101.77 | -100.72, 17.49 | 288.44, 80.02 | -65.69, -13.23 | in-in | in | 8.1483 | Saltbr-in | 3.5944 | HRD-in | -73.34, -52.41 | 71.89, 3.55 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7833 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -116.4, -56.59 | APE9-dihe-na | -80.8, 152.68 | APE8-dihe-in | -61.03, 143.88 | APE8-rot-out | 47.91 | APE67-dihe-in | -59.68, -32.23 | -55.45, -41.09 | APE12-dist-in | 13.7228 | APE11-dist-in | 11.9439 | APE10-dist-in | 7.0071 | APE9-dist-in | 3.5232 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | H | 344.0 | 324.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 | 8BU9E | Q9NYV4 | 715 | 1039 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.9943 | 15.2956 | BLAminus | -144.01, 174.3 | 58.02, 76.59 | -92.29, 23.22 | 284.15, 79.53 | -66.56, -16.01 | in-in | in | 7.9265 | Saltbr-in | 2.9785 | HRD-in | -72.29, -52.87 | 75.22, 4.09 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9527 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -79.11, -41.8 | APE9-dihe-na | -74.19, 150.88 | APE8-dihe-in | -62.82, 143.67 | APE8-rot-out | 166.93 | APE67-dihe-in | -61.65, -28.3 | -55.31, -42.74 | APE12-dist-in | 13.0026 | APE11-dist-in | 12.7132 | APE10-dist-in | 6.8922 | APE9-dist-in | 3.4751 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 | 8BU9B | Q9NYV4 | 715 | 1039 | 1490.0 | RRC:61101 | Type1 | Inactive | DFGin | 6.8954 | 15.5504 | None | -126.5, -98.68 | -52.95, 118.93 | -112.03, 20.69 | 280.85, 78.53 | -65.13, -14.55 | in-in | in | 8.0334 | Saltbr-in | 3.4619 | HRD-in | -71.08, -52.06 | 74.5, 2.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0383 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -112.03, -51.01 | APE9-dihe-na | -76.4, 148.49 | APE8-dihe-in | -61.77, 145.89 | APE8-rot-out | 190.86 | APE67-dihe-in | -62.1, -33.32 | -50.51, -38.53 | APE12-dist-in | 13.2624 | APE11-dist-in | 11.7849 | APE10-dist-in | 6.4997 | APE9-dist-in | 3.5775 | K965R | TPO893 | TPO893 | XRAY | 3.51 | 0.181 | 0.223 | B | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu9 | 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 |
|---|