| 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 | 8BUOB | Q9NYV4 | 715 | 1040 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.577 | 15.6443 | ABAminus | -146.64, 39.95 | -136.73, 75.69 | -99.12, 16.92 | 290.75, 79.72 | -67.9, -33.68 | in-in | in | 8.2125 | Saltbr-in | 2.831 | HRD-in | -67.45, -41.41 | 63.58, -11.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9789 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -115.89, -24.96 | APE9-dihe-na | -114.96, 153.64 | APE8-dihe-in | -59.59, 137.04 | APE8-rot-in | 298.26 | APE67-dihe-in | -58.73, -33.95 | -50.83, -38.96 | APE12-dist-in | 13.2777 | APE11-dist-in | 11.4095 | APE10-dist-in | 7.0434 | APE9-dist-in | 3.9158 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | B | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 | 8BUOE | Q9NYV4 | 715 | 1040 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.9418 | 15.6202 | BLAminus | -143.37, -172.35 | 44.48, 74.17 | -91.23, 22.68 | 280.06, 81.2 | -62.03, -28.06 | in-in | in | 8.0683 | Saltbr-in | 3.0558 | HRD-out | -76.67, 113.14 | -91.39, -21.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8935 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.19, -25.24 | APE9-dihe-na | -90.88, 153.8 | APE8-dihe-in | -61.01, 138.91 | APE8-rot-in | 296.79 | APE67-dihe-in | -57.07, -33.65 | -55.69, -42.2 | APE12-dist-in | 12.5157 | APE11-dist-in | 12.5542 | APE10-dist-in | 6.8393 | APE9-dist-in | 3.7348 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | E | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 | 8BUOH | Q9NYV4 | 715 | 1044 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.9531 | 15.2665 | None | -133.0, -52.84 | -89.06, 92.6 | -92.03, 19.54 | 286.01, 76.31 | -65.14, -29.67 | in-in | in | 8.1958 | Saltbr-in | 3.2893 | HRD-in | -68.8, -55.72 | 77.31, -13.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.885 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.5, -30.39 | APE9-dihe-na | -96.1, 151.94 | APE8-dihe-in | -61.51, 140.45 | APE8-rot-in | 333.9 | APE67-dihe-in | -58.03, -34.02 | -53.9, -41.38 | APE12-dist-in | 13.5492 | APE11-dist-in | 11.7907 | APE10-dist-in | 6.7655 | APE9-dist-in | 3.3578 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 | 8BUOB | Q9NYV4 | 715 | 1040 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.577 | 15.6443 | ABAminus | -146.64, 39.95 | -136.73, 75.69 | -99.12, 16.92 | 290.75, 79.72 | -67.9, -33.68 | in-in | in | 8.2125 | Saltbr-in | 2.831 | HRD-in | -67.45, -41.41 | 63.58, -11.91 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9789 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -115.89, -24.96 | APE9-dihe-na | -114.96, 153.64 | APE8-dihe-in | -59.59, 137.04 | APE8-rot-in | 298.26 | APE67-dihe-in | -58.73, -33.95 | -50.83, -38.96 | APE12-dist-in | 13.2777 | APE11-dist-in | 11.4095 | APE10-dist-in | 7.0434 | APE9-dist-in | 3.9158 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | B | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 | 8BUOE | Q9NYV4 | 715 | 1040 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.9418 | 15.6202 | BLAminus | -143.37, -172.35 | 44.48, 74.17 | -91.23, 22.68 | 280.06, 81.2 | -62.03, -28.06 | in-in | in | 8.0683 | Saltbr-in | 3.0558 | HRD-out | -76.67, 113.14 | -91.39, -21.48 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8935 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -97.19, -25.24 | APE9-dihe-na | -90.88, 153.8 | APE8-dihe-in | -61.01, 138.91 | APE8-rot-in | 296.79 | APE67-dihe-in | -57.07, -33.65 | -55.69, -42.2 | APE12-dist-in | 12.5157 | APE11-dist-in | 12.5542 | APE10-dist-in | 6.8393 | APE9-dist-in | 3.7348 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | E | 344.0 | 326.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 | 8BUOH | Q9NYV4 | 715 | 1044 | 1490.0 | RLC:1101 | Type1 | Inactive | DFGin | 6.9531 | 15.2665 | None | -133.0, -52.84 | -89.06, 92.6 | -92.03, 19.54 | 286.01, 76.31 | -65.14, -29.67 | in-in | in | 8.1958 | Saltbr-in | 3.2893 | HRD-in | -68.8, -55.72 | 77.31, -13.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.885 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.5, -30.39 | APE9-dihe-na | -96.1, 151.94 | APE8-dihe-in | -61.51, 140.45 | APE8-rot-in | 333.9 | APE67-dihe-in | -58.03, -34.02 | -53.9, -41.38 | APE12-dist-in | 13.5492 | APE11-dist-in | 11.7907 | APE10-dist-in | 6.7655 | APE9-dist-in | 3.3578 | K965R | TPO893 | TPO893 | XRAY | 3.58 | 0.179 | 0.219 | H | 344.0 | 330.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8buo | 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 |
|---|