| 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 | 8BU5B | Q9NYV4 | 713 | 1044 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 6.8015 | 14.7007 | ABAminus | -126.95, -66.04 | -93.95, 105.24 | -102.41, 30.18 | 293.69, 100.66 | -84.84, -22.58 | in-out | in | 8.3047 | Saltbr-out | 3.9335 | HRD-out | -78.59, 106.12 | -94.17, 5.74 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8278 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -136.91, -22.25 | APE9-dihe-na | -109.89, 157.52 | APE8-dihe-in | -56.01, 131.78 | APE8-rot-in | 308.02 | APE67-dihe-in | -60.99, -26.61 | -52.03, -40.26 | APE12-dist-out | 14.2801 | APE11-dist-in | 11.9408 | APE10-dist-in | 7.3604 | APE9-dist-in | 3.7666 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | B | 344.0 | 332.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 | 8BU5H | Q9NYV4 | 713 | 1043 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 7.0152 | 14.9781 | ABAminus | -128.46, -54.53 | -90.71, 103.12 | -97.22, 31.8 | 290.43, 81.59 | -85.33, -25.69 | in-in | in | 8.4795 | Saltbr-in | 3.5275 | HRD-in | -73.55, -49.58 | 63.85, -4.76 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6292 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.5, -28.02 | APE9-dihe-na | -97.36, 153.71 | APE8-dihe-in | -57.72, 135.61 | APE8-rot-in | 311.07 | APE67-dihe-in | -63.38, -27.52 | -50.57, -39.59 | APE12-dist-in | 13.9415 | APE11-dist-in | 12.128 | APE10-dist-in | 7.2577 | APE9-dist-in | 3.4973 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | H | 344.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 | 8BU5E | Q9NYV4 | 713 | 1043 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 6.9424 | 15.1221 | None | -123.64, -63.66 | -81.97, -51.09 | 56.28, 22.54 | 292.49, 98.9 | -91.33, -28.22 | in-out | in | 8.3713 | Saltbr-out | 3.6222 | HRD-in | -72.77, -54.57 | 74.45, -4.91 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7589 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -134.16, -27.33 | APE9-dihe-na | -98.05, 157.33 | APE8-dihe-in | -51.55, 136.25 | APE8-rot-in | 308.17 | APE67-dihe-in | -63.16, -26.85 | -49.17, -41.17 | APE12-dist-out | 14.1246 | APE11-dist-in | 12.1682 | APE10-dist-in | 7.2856 | APE9-dist-in | 3.7263 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | E | 344.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 | 8BU5B | Q9NYV4 | 713 | 1044 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 6.8015 | 14.7007 | ABAminus | -126.95, -66.04 | -93.95, 105.24 | -102.41, 30.18 | 293.69, 100.66 | -84.84, -22.58 | in-out | in | 8.3047 | Saltbr-out | 3.9335 | HRD-out | -78.59, 106.12 | -94.17, 5.74 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8278 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -136.91, -22.25 | APE9-dihe-na | -109.89, 157.52 | APE8-dihe-in | -56.01, 131.78 | APE8-rot-in | 308.02 | APE67-dihe-in | -60.99, -26.61 | -52.03, -40.26 | APE12-dist-out | 14.2801 | APE11-dist-in | 11.9408 | APE10-dist-in | 7.3604 | APE9-dist-in | 3.7666 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | B | 344.0 | 332.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 | 8BU5H | Q9NYV4 | 713 | 1043 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 7.0152 | 14.9781 | ABAminus | -128.46, -54.53 | -90.71, 103.12 | -97.22, 31.8 | 290.43, 81.59 | -85.33, -25.69 | in-in | in | 8.4795 | Saltbr-in | 3.5275 | HRD-in | -73.55, -49.58 | 63.85, -4.76 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6292 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.5, -28.02 | APE9-dihe-na | -97.36, 153.71 | APE8-dihe-in | -57.72, 135.61 | APE8-rot-in | 311.07 | APE67-dihe-in | -63.38, -27.52 | -50.57, -39.59 | APE12-dist-in | 13.9415 | APE11-dist-in | 12.128 | APE10-dist-in | 7.2577 | APE9-dist-in | 3.4973 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | H | 344.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 | 8BU5E | Q9NYV4 | 713 | 1043 | 1490.0 | RMF:1101 | Type1 | Inactive | DFGin | 6.9424 | 15.1221 | None | -123.64, -63.66 | -81.97, -51.09 | 56.28, 22.54 | 292.49, 98.9 | -91.33, -28.22 | in-out | in | 8.3713 | Saltbr-out | 3.6222 | HRD-in | -72.77, -54.57 | 74.45, -4.91 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7589 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | -134.16, -27.33 | APE9-dihe-na | -98.05, 157.33 | APE8-dihe-in | -51.55, 136.25 | APE8-rot-in | 308.17 | APE67-dihe-in | -63.16, -26.85 | -49.17, -41.17 | APE12-dist-out | 14.1246 | APE11-dist-in | 12.1682 | APE10-dist-in | 7.2856 | APE9-dist-in | 3.7263 | K965R | TPO893 | TPO893 | XRAY | 3.134 | 0.2 | 0.22 | E | 344.0 | 331.0 | 0 | 29 | 29 | 0 | [[727, 1020]] | 1.0 | 8bu5 | 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 |
|---|