| 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 | 8BUME | Q9NYV4 | 715 | 1039 | 1490.0 | T6X:1101 | Type1 | Active | DFGin | 7.1739 | 15.4836 | BLAminus | -146.26, -169.41 | 35.67, 76.14 | -91.08, 23.16 | 287.18, 101.24 | -64.43, -27.28 | in-in | in | 8.3789 | Saltbr-in | 3.3933 | HRD-in | -65.58, -57.98 | 78.09, 6.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.007 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.86, -32.86 | APE9-dihe-na | -90.18, 155.36 | APE8-dihe-in | -60.4, 149.13 | APE8-rot-in | 310.02 | APE67-dihe-in | -62.09, -34.98 | -57.41, -41.5 | APE12-dist-in | 12.684 | APE11-dist-in | 12.1018 | APE10-dist-in | 6.7473 | APE9-dist-in | 3.3803 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 | 8BUMB | Q9NYV4 | 715 | 1040 | 1490.0 | T6X:1101 | Type1 | Inactive | DFGin | 6.8637 | 15.6654 | None | -134.73, -83.5 | -67.29, 93.27 | -90.11, 26.53 | 284.48, 75.06 | -65.26, -28.59 | in-in | in | 7.994 | Saltbr-in | 3.4847 | HRD-in | -65.89, -56.24 | 77.66, 6.87 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1268 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.13, -38.62 | APE9-dihe-na | -95.11, 154.79 | APE8-dihe-in | -60.97, 148.11 | APE8-rot-in | 309.8 | APE67-dihe-in | -61.69, -36.7 | -58.55, -38.83 | APE12-dist-in | 13.4563 | APE11-dist-in | 11.5984 | APE10-dist-in | 6.6698 | APE9-dist-in | 3.6672 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | B | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 | 8BUMH | Q9NYV4 | 715 | 1039 | 1490.0 | T6X:1101 | Type1 | Inactive | DFGin | 7.0235 | 15.4568 | None | -135.37, -57.05 | -84.79, 89.46 | -91.01, 22.09 | 287.95, 72.46 | -66.77, -30.21 | in-out | in | 8.0681 | Saltbr-out | 4.1308 | HRD-in | -66.21, -56.87 | 75.95, 5.67 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9548 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.45, -40.59 | APE9-dihe-na | -95.46, 155.5 | APE8-dihe-in | -61.11, 150.0 | APE8-rot-in | 312.75 | APE67-dihe-in | -61.06, -36.71 | -56.48, -41.62 | APE12-dist-in | 13.6249 | APE11-dist-in | 11.7363 | APE10-dist-in | 7.1678 | APE9-dist-in | 3.5793 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | H | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 | 8BUME | Q9NYV4 | 715 | 1039 | 1490.0 | T6X:1101 | Type1 | Active | DFGin | 7.1739 | 15.4836 | BLAminus | -146.26, -169.41 | 35.67, 76.14 | -91.08, 23.16 | 287.18, 101.24 | -64.43, -27.28 | in-in | in | 8.3789 | Saltbr-in | 3.3933 | HRD-in | -65.58, -57.98 | 78.09, 6.9 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.007 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.86, -32.86 | APE9-dihe-na | -90.18, 155.36 | APE8-dihe-in | -60.4, 149.13 | APE8-rot-in | 310.02 | APE67-dihe-in | -62.09, -34.98 | -57.41, -41.5 | APE12-dist-in | 12.684 | APE11-dist-in | 12.1018 | APE10-dist-in | 6.7473 | APE9-dist-in | 3.3803 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 | 8BUMB | Q9NYV4 | 715 | 1040 | 1490.0 | T6X:1101 | Type1 | Inactive | DFGin | 6.8637 | 15.6654 | None | -134.73, -83.5 | -67.29, 93.27 | -90.11, 26.53 | 284.48, 75.06 | -65.26, -28.59 | in-in | in | 7.994 | Saltbr-in | 3.4847 | HRD-in | -65.89, -56.24 | 77.66, 6.87 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1268 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.13, -38.62 | APE9-dihe-na | -95.11, 154.79 | APE8-dihe-in | -60.97, 148.11 | APE8-rot-in | 309.8 | APE67-dihe-in | -61.69, -36.7 | -58.55, -38.83 | APE12-dist-in | 13.4563 | APE11-dist-in | 11.5984 | APE10-dist-in | 6.6698 | APE9-dist-in | 3.6672 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | B | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 | 8BUMH | Q9NYV4 | 715 | 1039 | 1490.0 | T6X:1101 | Type1 | Inactive | DFGin | 7.0235 | 15.4568 | None | -135.37, -57.05 | -84.79, 89.46 | -91.01, 22.09 | 287.95, 72.46 | -66.77, -30.21 | in-out | in | 8.0681 | Saltbr-out | 4.1308 | HRD-in | -66.21, -56.87 | 75.95, 5.67 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9548 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -111.45, -40.59 | APE9-dihe-na | -95.46, 155.5 | APE8-dihe-in | -61.11, 150.0 | APE8-rot-in | 312.75 | APE67-dihe-in | -61.06, -36.71 | -56.48, -41.62 | APE12-dist-in | 13.6249 | APE11-dist-in | 11.7363 | APE10-dist-in | 7.1678 | APE9-dist-in | 3.5793 | K965R | TPO893 | TPO893 | XRAY | 3.36 | 0.18 | 0.212 | H | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bum | 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 |
|---|