| 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 | 8BU4B | Q9NYV4 | 715 | 1043 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.85 | 15.4476 | ABAminus | -129.55, -62.28 | -85.09, 103.01 | -99.2, 24.51 | 288.36, 76.72 | -66.96, -36.21 | in-in | in | 8.3567 | Saltbr-in | 2.9754 | HRD-in | -68.4, -61.77 | 77.35, 4.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9924 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -116.64, -39.36 | APE9-dihe-na | -92.3, 149.92 | APE8-dihe-in | -61.52, 149.36 | APE8-rot-out | 186.04 | APE67-dihe-in | -64.54, -31.54 | -56.18, -38.32 | APE12-dist-in | 13.385 | APE11-dist-in | 11.5066 | APE10-dist-in | 6.6111 | APE9-dist-in | 3.4581 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 | 8BU4H | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.0469 | 15.5284 | ABAminus | -118.75, -57.9 | -97.23, 97.83 | -98.97, 29.55 | 288.47, 78.73 | -75.71, -15.5 | in-out | in | 8.2875 | Saltbr-out | 3.9063 | HRD-in | -79.59, -55.06 | 74.66, 4.8 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8791 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -121.0, -34.01 | APE9-dihe-na | -98.0, 156.31 | APE8-dihe-in | -61.54, 149.21 | APE8-rot-out | 67.45 | APE67-dihe-in | -64.95, -40.0 | -58.15, -33.89 | APE12-dist-in | 13.8217 | APE11-dist-in | 12.0458 | APE10-dist-in | 7.1648 | APE9-dist-in | 3.5506 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 | 8BU4E | Q9NYV4 | 715 | 1039 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.468 | 15.54 | BLAminus | -141.1, 177.81 | 60.96, 67.17 | -93.67, 20.14 | 286.75, 91.51 | -68.13, -33.02 | in-out | in | 8.589 | Saltbr-out | 5.3781 | HRD-in | -65.76, -60.59 | 77.41, 5.82 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0295 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -92.44, -31.45 | APE9-dihe-na | -85.2, 150.66 | APE8-dihe-in | -60.73, 147.65 | APE8-rot-out | 173.82 | APE67-dihe-in | -63.61, -27.41 | -58.33, -41.33 | APE12-dist-in | 13.0819 | APE11-dist-in | 12.5962 | APE10-dist-in | 6.8982 | APE9-dist-in | 3.368 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 | 8BU4B | Q9NYV4 | 715 | 1043 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 6.85 | 15.4476 | ABAminus | -129.55, -62.28 | -85.09, 103.01 | -99.2, 24.51 | 288.36, 76.72 | -66.96, -36.21 | in-in | in | 8.3567 | Saltbr-in | 2.9754 | HRD-in | -68.4, -61.77 | 77.35, 4.99 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9924 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -116.64, -39.36 | APE9-dihe-na | -92.3, 149.92 | APE8-dihe-in | -61.52, 149.36 | APE8-rot-out | 186.04 | APE67-dihe-in | -64.54, -31.54 | -56.18, -38.32 | APE12-dist-in | 13.385 | APE11-dist-in | 11.5066 | APE10-dist-in | 6.6111 | APE9-dist-in | 3.4581 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 | 8BU4H | Q9NYV4 | 715 | 1044 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.0469 | 15.5284 | ABAminus | -118.75, -57.9 | -97.23, 97.83 | -98.97, 29.55 | 288.47, 78.73 | -75.71, -15.5 | in-out | in | 8.2875 | Saltbr-out | 3.9063 | HRD-in | -79.59, -55.06 | 74.66, 4.8 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8791 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -121.0, -34.01 | APE9-dihe-na | -98.0, 156.31 | APE8-dihe-in | -61.54, 149.21 | APE8-rot-out | 67.45 | APE67-dihe-in | -64.95, -40.0 | -58.15, -33.89 | APE12-dist-in | 13.8217 | APE11-dist-in | 12.0458 | APE10-dist-in | 7.1648 | APE9-dist-in | 3.5506 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 | 8BU4E | Q9NYV4 | 715 | 1039 | 1490.0 | RQL:61101 | Type1 | Inactive | DFGin | 7.468 | 15.54 | BLAminus | -141.1, 177.81 | 60.96, 67.17 | -93.67, 20.14 | 286.75, 91.51 | -68.13, -33.02 | in-out | in | 8.589 | Saltbr-out | 5.3781 | HRD-in | -65.76, -60.59 | 77.41, 5.82 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0295 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -92.44, -31.45 | APE9-dihe-na | -85.2, 150.66 | APE8-dihe-in | -60.73, 147.65 | APE8-rot-out | 173.82 | APE67-dihe-in | -63.61, -27.41 | -58.33, -41.33 | APE12-dist-in | 13.0819 | APE11-dist-in | 12.5962 | APE10-dist-in | 6.8982 | APE9-dist-in | 3.368 | K965R | TPO893 | TPO893 | XRAY | 3.09 | 0.205 | 0.223 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu4 | 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 |
|---|