| 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 | 5ACBC | Q9NYV4 | 716 | 1040 | 1490.0 | 5I1:2000 | Type1 | Inactive | DFGin | 7.4424 | 15.98 | BLAminus | -120.77, 171.13 | 69.09, 68.44 | -91.07, 27.42 | 288.67, 78.45 | -57.05, -52.5 | in-in | in | 8.3689 | Saltbr-in | 2.8783 | HRD-in | -75.39, -52.07 | 67.69, 20.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8043 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -135.05, 158.72 | APE9-dihe-na | 71.72, 133.31 | APE8-dihe-in | -62.63, 141.8 | APE8-rot-out | 192.05 | APE67-dihe-in | -62.93, -27.37 | -47.97, -41.23 | APE12-dist-in | 13.6417 | APE11-dist-in | 11.6664 | APE10-dist-in | 7.3938 | APE9-dist-in | 3.5299 | None | TPO893 | TPO893 | XRAY | 2.7 | 0.223 | 0.262 | C | 340.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 5acb | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 5ACBD | Q9NYV4 | 718 | 1044 | 1490.0 | 5I1:2000 | Type1 | Inactive | DFGin | 7.4517 | 16.0111 | BLAminus | -121.14, 171.65 | 68.87, 69.17 | -92.34, 27.19 | 288.77, 78.24 | -58.4, -50.08 | in-in | in | 8.349 | Saltbr-in | 2.8748 | HRD-in | -75.87, -51.87 | 67.36, 21.14 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8109 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.18, 158.62 | APE9-dihe-na | 71.07, 133.26 | APE8-dihe-in | -63.22, 142.55 | APE8-rot-out | 191.44 | APE67-dihe-in | -63.33, -26.97 | -48.15, -41.58 | APE12-dist-in | 13.6981 | APE11-dist-in | 11.7681 | APE10-dist-in | 7.4862 | APE9-dist-in | 3.5674 | None | TPO893 | TPO893 | XRAY | 2.7 | 0.223 | 0.262 | D | 340.0 | 320.0 | 7 | 29 | 26 | 3 | [[727, 1020]] | 1.0 | 5acb | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 5ACBC | Q9NYV4 | 716 | 1040 | 1490.0 | 5I1:2000 | Type1 | Inactive | DFGin | 7.4424 | 15.98 | BLAminus | -120.77, 171.13 | 69.09, 68.44 | -91.07, 27.42 | 288.67, 78.45 | -57.05, -52.5 | in-in | in | 8.3689 | Saltbr-in | 2.8783 | HRD-in | -75.39, -52.07 | 67.69, 20.88 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8043 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -135.05, 158.72 | APE9-dihe-na | 71.72, 133.31 | APE8-dihe-in | -62.63, 141.8 | APE8-rot-out | 192.05 | APE67-dihe-in | -62.93, -27.37 | -47.97, -41.23 | APE12-dist-in | 13.6417 | APE11-dist-in | 11.6664 | APE10-dist-in | 7.3938 | APE9-dist-in | 3.5299 | None | TPO893 | TPO893 | XRAY | 2.7 | 0.223 | 0.262 | C | 340.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 5acb | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 | 5ACBD | Q9NYV4 | 718 | 1044 | 1490.0 | 5I1:2000 | Type1 | Inactive | DFGin | 7.4517 | 16.0111 | BLAminus | -121.14, 171.65 | 68.87, 69.17 | -92.34, 27.19 | 288.77, 78.24 | -58.4, -50.08 | in-in | in | 8.349 | Saltbr-in | 2.8748 | HRD-in | -75.87, -51.87 | 67.36, 21.14 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8109 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -134.18, 158.62 | APE9-dihe-na | 71.07, 133.26 | APE8-dihe-in | -63.22, 142.55 | APE8-rot-out | 191.44 | APE67-dihe-in | -63.33, -26.97 | -48.15, -41.58 | APE12-dist-in | 13.6981 | APE11-dist-in | 11.7681 | APE10-dist-in | 7.4862 | APE9-dist-in | 3.5674 | None | TPO893 | TPO893 | XRAY | 2.7 | 0.223 | 0.262 | D | 340.0 | 320.0 | 7 | 29 | 26 | 3 | [[727, 1020]] | 1.0 | 5acb | Homo sapiens | CMGC_CDK12_HUMAN | CMGC | 2.6e-84 | 289.0 | 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 |
|---|