| 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 | 8BUEH | Q9NYV4 | 715 | 1043 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 6.9533 | 15.5282 | ABAminus | -135.4, -31.77 | -104.88, 88.01 | -89.97, 37.83 | 286.95, 75.03 | -83.73, -24.85 | in-in | in | 8.0945 | Saltbr-in | 3.0534 | HRD-in | -72.11, -58.45 | 75.28, 1.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9141 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.38, -30.92 | APE9-dihe-na | -101.17, 153.28 | APE8-dihe-in | -59.63, 146.59 | APE8-rot-in | 309.03 | APE67-dihe-in | -63.21, -32.83 | -55.37, -40.46 | APE12-dist-in | 13.5206 | APE11-dist-in | 11.6573 | APE10-dist-in | 6.9037 | APE9-dist-in | 3.3499 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 | 8BUEE | Q9NYV4 | 715 | 1039 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 7.242 | 15.4962 | BLAminus | -141.72, -174.7 | 47.09, 73.46 | -90.8, 38.01 | 284.87, 78.5 | -78.36, -22.84 | in-in | in | 7.9834 | Saltbr-in | 3.3242 | HRD-in | -72.61, -56.11 | 78.07, 3.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8628 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -101.94, -25.35 | APE9-dihe-na | -96.92, 153.79 | APE8-dihe-in | -59.83, 147.51 | APE8-rot-out | 172.74 | APE67-dihe-in | -64.75, -28.9 | -55.27, -41.29 | APE12-dist-in | 12.9803 | APE11-dist-in | 12.541 | APE10-dist-in | 7.0055 | APE9-dist-in | 3.3709 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 | 8BUEB | Q9NYV4 | 715 | 1043 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 6.8762 | 15.6 | None | -134.01, -59.19 | -81.95, 94.22 | -92.57, 38.59 | 286.02, 76.0 | -80.72, -24.77 | in-in | in | 7.932 | Saltbr-in | 2.9874 | HRD-in | -72.56, -56.91 | 77.87, 2.52 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9042 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.91, -27.24 | APE9-dihe-na | -111.61, 155.18 | APE8-dihe-in | -59.11, 144.49 | APE8-rot-out | 174.63 | APE67-dihe-in | -64.14, -33.78 | -56.66, -36.69 | APE12-dist-in | 13.2286 | APE11-dist-in | 11.5753 | APE10-dist-in | 6.8399 | APE9-dist-in | 3.7328 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 | 8BUEH | Q9NYV4 | 715 | 1043 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 6.9533 | 15.5282 | ABAminus | -135.4, -31.77 | -104.88, 88.01 | -89.97, 37.83 | 286.95, 75.03 | -83.73, -24.85 | in-in | in | 8.0945 | Saltbr-in | 3.0534 | HRD-in | -72.11, -58.45 | 75.28, 1.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9141 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.38, -30.92 | APE9-dihe-na | -101.17, 153.28 | APE8-dihe-in | -59.63, 146.59 | APE8-rot-in | 309.03 | APE67-dihe-in | -63.21, -32.83 | -55.37, -40.46 | APE12-dist-in | 13.5206 | APE11-dist-in | 11.6573 | APE10-dist-in | 6.9037 | APE9-dist-in | 3.3499 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 | 8BUEE | Q9NYV4 | 715 | 1039 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 7.242 | 15.4962 | BLAminus | -141.72, -174.7 | 47.09, 73.46 | -90.8, 38.01 | 284.87, 78.5 | -78.36, -22.84 | in-in | in | 7.9834 | Saltbr-in | 3.3242 | HRD-in | -72.61, -56.11 | 78.07, 3.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8628 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -101.94, -25.35 | APE9-dihe-na | -96.92, 153.79 | APE8-dihe-in | -59.83, 147.51 | APE8-rot-out | 172.74 | APE67-dihe-in | -64.75, -28.9 | -55.27, -41.29 | APE12-dist-in | 12.9803 | APE11-dist-in | 12.541 | APE10-dist-in | 7.0055 | APE9-dist-in | 3.3709 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 | 8BUEB | Q9NYV4 | 715 | 1043 | 1490.0 | RVU:61101 | Type1 | Inactive | DFGin | 6.8762 | 15.6 | None | -134.01, -59.19 | -81.95, 94.22 | -92.57, 38.59 | 286.02, 76.0 | -80.72, -24.77 | in-in | in | 7.932 | Saltbr-in | 2.9874 | HRD-in | -72.56, -56.91 | 77.87, 2.52 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9042 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -120.91, -27.24 | APE9-dihe-na | -111.61, 155.18 | APE8-dihe-in | -59.11, 144.49 | APE8-rot-out | 174.63 | APE67-dihe-in | -64.14, -33.78 | -56.66, -36.69 | APE12-dist-in | 13.2286 | APE11-dist-in | 11.5753 | APE10-dist-in | 6.8399 | APE9-dist-in | 3.7328 | K965R | TPO893 | TPO893 | XRAY | 3.25 | 0.186 | 0.213 | B | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bue | 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 |
|---|