| 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 | 8BUNB | Q9NYV4 | 715 | 1041 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.0092 | 15.2967 | ABAminus | -131.36, -49.43 | -89.83, 91.44 | -92.44, 32.63 | 287.3, 77.5 | -75.27, -18.22 | in-in | in | 7.7476 | Saltbr-in | 3.2793 | HRD-in | -75.67, -53.71 | 75.4, -0.11 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -107.12, -39.12 | APE9-dihe-na | -104.98, 151.97 | APE8-dihe-in | -58.93, 142.91 | APE8-rot-in | 279.94 | APE67-dihe-in | -65.42, -33.6 | -55.06, -35.14 | APE12-dist-in | 13.3877 | APE11-dist-in | 11.6951 | APE10-dist-in | 7.099 | APE9-dist-in | 3.6569 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 | 8BUNH | Q9NYV4 | 715 | 1043 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.0453 | 15.2864 | ABAminus | -125.24, -50.09 | -100.69, 94.75 | -92.24, 30.97 | 286.18, 71.82 | -75.42, -18.26 | in-in | in | 7.8338 | Saltbr-in | 3.3735 | HRD-in | -77.6, -54.36 | 73.0, -1.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.74 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -108.56, -41.65 | APE9-dihe-na | -95.79, 153.05 | APE8-dihe-in | -58.87, 144.43 | APE8-rot-in | 305.25 | APE67-dihe-in | -65.98, -31.29 | -55.83, -37.71 | APE12-dist-in | 13.7752 | APE11-dist-in | 11.9719 | APE10-dist-in | 6.9568 | APE9-dist-in | 3.4785 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 | 8BUNE | Q9NYV4 | 715 | 1039 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.2173 | 15.3129 | BLAminus | -143.55, -179.06 | 50.55, 77.42 | -92.12, 34.85 | 285.27, 76.47 | -72.26, -18.51 | in-in | in | 7.8237 | Saltbr-in | 3.0461 | HRD-in | -77.13, -53.65 | 75.0, -0.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9239 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -105.31, -34.23 | APE9-dihe-na | -92.08, 151.91 | APE8-dihe-in | -57.84, 145.99 | APE8-rot-out | 175.35 | APE67-dihe-in | -65.98, -29.37 | -55.72, -38.5 | APE12-dist-in | 13.1801 | APE11-dist-in | 12.6112 | APE10-dist-in | 7.008 | APE9-dist-in | 3.4323 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 | 8BUNB | Q9NYV4 | 715 | 1041 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.0092 | 15.2967 | ABAminus | -131.36, -49.43 | -89.83, 91.44 | -92.44, 32.63 | 287.3, 77.5 | -75.27, -18.22 | in-in | in | 7.7476 | Saltbr-in | 3.2793 | HRD-in | -75.67, -53.71 | 75.4, -0.11 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -107.12, -39.12 | APE9-dihe-na | -104.98, 151.97 | APE8-dihe-in | -58.93, 142.91 | APE8-rot-in | 279.94 | APE67-dihe-in | -65.42, -33.6 | -55.06, -35.14 | APE12-dist-in | 13.3877 | APE11-dist-in | 11.6951 | APE10-dist-in | 7.099 | APE9-dist-in | 3.6569 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | B | 344.0 | 327.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 | 8BUNH | Q9NYV4 | 715 | 1043 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.0453 | 15.2864 | ABAminus | -125.24, -50.09 | -100.69, 94.75 | -92.24, 30.97 | 286.18, 71.82 | -75.42, -18.26 | in-in | in | 7.8338 | Saltbr-in | 3.3735 | HRD-in | -77.6, -54.36 | 73.0, -1.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.74 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -108.56, -41.65 | APE9-dihe-na | -95.79, 153.05 | APE8-dihe-in | -58.87, 144.43 | APE8-rot-in | 305.25 | APE67-dihe-in | -65.98, -31.29 | -55.83, -37.71 | APE12-dist-in | 13.7752 | APE11-dist-in | 11.9719 | APE10-dist-in | 6.9568 | APE9-dist-in | 3.4785 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | H | 344.0 | 329.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 | 8BUNE | Q9NYV4 | 715 | 1039 | 1490.0 | RNF:61101 | Type1 | Inactive | DFGin | 7.2173 | 15.3129 | BLAminus | -143.55, -179.06 | 50.55, 77.42 | -92.12, 34.85 | 285.27, 76.47 | -72.26, -18.51 | in-in | in | 7.8237 | Saltbr-in | 3.0461 | HRD-in | -77.13, -53.65 | 75.0, -0.22 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9239 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -105.31, -34.23 | APE9-dihe-na | -92.08, 151.91 | APE8-dihe-in | -57.84, 145.99 | APE8-rot-out | 175.35 | APE67-dihe-in | -65.98, -29.37 | -55.72, -38.5 | APE12-dist-in | 13.1801 | APE11-dist-in | 12.6112 | APE10-dist-in | 7.008 | APE9-dist-in | 3.4323 | K965R | TPO893 | TPO893 | XRAY | 3.08 | 0.187 | 0.211 | E | 344.0 | 325.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bun | 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 |
|---|