| 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 | 6B3EA | Q9NYV4 | 717 | 1036 | 1490.0 | CJM:1102 | Type1 | Inactive | DFGin | 7.202 | 14.7664 | BLAminus | -121.7, 178.92 | 59.35, 79.81 | -95.65, 26.66 | 285.79, 81.49 | -61.82, -29.55 | in-in | in | 8.6992 | Saltbr-in | 3.05 | HRD-in | -76.48, -54.37 | 70.53, 12.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9145 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.0, 155.78 | APE9-dihe-na | 76.06, 131.42 | APE8-dihe-in | -60.49, 145.1 | APE8-rot-out | 86.32 | APE67-dihe-in | -63.58, -25.36 | -47.54, -46.44 | APE12-dist-in | 13.3552 | APE11-dist-in | 11.458 | APE10-dist-in | 6.9768 | APE9-dist-in | 3.4966 | None | TPO893 | TPO893 | XRAY | 3.06 | 0.191 | 0.212 | A | 320.0 | 310.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6b3e | CMGC_CDK12_HUMAN | CMGC | 2e-84 | 289.3 | 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 | 6B3EC | Q9NYV4 | 719 | 1036 | 1490.0 | CJM:1103 | Type1 | Inactive | DFGin | 7.173 | 14.6207 | BLAminus | -121.27, -179.9 | 57.69, 80.64 | -96.21, 26.0 | 285.96, 80.56 | -59.62, -30.89 | in-in | in | 8.5283 | Saltbr-in | 2.8376 | HRD-in | -74.96, -53.91 | 69.51, 14.07 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8936 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.93, 154.64 | APE9-dihe-na | 78.03, 130.48 | APE8-dihe-in | -61.1, 145.82 | APE8-rot-out | 85.07 | APE67-dihe-in | -62.57, -25.75 | -47.61, -47.19 | APE12-dist-in | 13.2674 | APE11-dist-in | 11.359 | APE10-dist-in | 6.9435 | APE9-dist-in | 3.5617 | None | TPO893 | TPO893 | XRAY | 3.06 | 0.191 | 0.212 | C | 320.0 | 308.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6b3e | CMGC_CDK12_HUMAN | CMGC | 2e-84 | 289.3 | 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 | 6B3EA | Q9NYV4 | 717 | 1036 | 1490.0 | CJM:1102 | Type1 | Inactive | DFGin | 7.202 | 14.7664 | BLAminus | -121.7, 178.92 | 59.35, 79.81 | -95.65, 26.66 | 285.79, 81.49 | -61.82, -29.55 | in-in | in | 8.6992 | Saltbr-in | 3.05 | HRD-in | -76.48, -54.37 | 70.53, 12.96 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9145 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.0, 155.78 | APE9-dihe-na | 76.06, 131.42 | APE8-dihe-in | -60.49, 145.1 | APE8-rot-out | 86.32 | APE67-dihe-in | -63.58, -25.36 | -47.54, -46.44 | APE12-dist-in | 13.3552 | APE11-dist-in | 11.458 | APE10-dist-in | 6.9768 | APE9-dist-in | 3.4966 | None | TPO893 | TPO893 | XRAY | 3.06 | 0.191 | 0.212 | A | 320.0 | 310.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6b3e | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2e-84 | 289.3 | 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 | 6B3EC | Q9NYV4 | 719 | 1036 | 1490.0 | CJM:1103 | Type1 | Inactive | DFGin | 7.173 | 14.6207 | BLAminus | -121.27, -179.9 | 57.69, 80.64 | -96.21, 26.0 | 285.96, 80.56 | -59.62, -30.89 | in-in | in | 8.5283 | Saltbr-in | 2.8376 | HRD-in | -74.96, -53.91 | 69.51, 14.07 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8936 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -129.93, 154.64 | APE9-dihe-na | 78.03, 130.48 | APE8-dihe-in | -61.1, 145.82 | APE8-rot-out | 85.07 | APE67-dihe-in | -62.57, -25.75 | -47.61, -47.19 | APE12-dist-in | 13.2674 | APE11-dist-in | 11.359 | APE10-dist-in | 6.9435 | APE9-dist-in | 3.5617 | None | TPO893 | TPO893 | XRAY | 3.06 | 0.191 | 0.212 | C | 320.0 | 308.0 | 10 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 6b3e | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2e-84 | 289.3 | 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 |
|---|