Ligand: RQE

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BU6B
DFGin BLAminus 1 33.3% 8BU6E
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 8BU6E Q9NYV4 715 1038 1490.0 RQE:61101 Type1 Inactive DFGin 6.9042 14.7933 BLAminus -142.16, 173.3 46.61, 77.13 -86.78, 22.75 290.79, 69.64 -59.06, -38.89 in-out in 8.4663 Saltbr-out 3.7793 HRD-in -71.31, -54.36 76.0, -0.16 out-in-out SNCoio in-out ActLoopNT-in 2.9818 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -121.41, -43.86 APE9-dihe-na -68.68, 149.74 APE8-dihe-in -53.47, 142.92 APE8-rot-out 167.33 APE67-dihe-in -57.01, -34.74 -57.51, -41.34 APE12-dist-in 13.1034 APE11-dist-in 13.0819 APE10-dist-in 7.1799 APE9-dist-in 3.5468 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 E 344.0 324.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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 8BU6B Q9NYV4 715 1039 1490.0 RQE:61101 Type1 Inactive DFGin 6.9772 15.0095 None -127.82, -64.26 -87.77, 91.87 -89.24, 20.45 288.89, 72.08 -65.57, -40.39 in-in in 8.424 Saltbr-in 3.4813 HRD-in -70.61, -57.84 77.83, -2.42 in-in-out SNCiio in-out ActLoopNT-in 3.1224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.14, -54.56 APE9-dihe-na -81.61, 149.37 APE8-dihe-in -53.79, 145.32 APE8-rot-out 74.18 APE67-dihe-in -56.42, -37.71 -55.03, -39.62 APE12-dist-in 13.9274 APE11-dist-in 11.7836 APE10-dist-in 6.969 APE9-dist-in 3.408 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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 8BU6H Q9NYV4 715 1038 1490.0 RQE:61101 Type1 Inactive DFGin 6.8592 15.2278 None -123.73, -80.29 -80.87, 99.66 -87.02, 20.65 285.61, 58.62 -65.39, -44.16 in-out in 8.4216 Saltbr-out 5.0958 HRD-in -73.68, -57.19 78.4, -0.7 out-in-out SNCoio in-out ActLoopNT-in 3.0861 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.54, -53.3 APE9-dihe-na -74.55, 153.16 APE8-dihe-in -53.11, 139.67 APE8-rot-out 166.86 APE67-dihe-in -53.97, -35.01 -57.57, -41.34 APE12-dist-in 13.1365 APE11-dist-in 12.4283 APE10-dist-in 7.0199 APE9-dist-in 3.4215 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 H 344.0 324.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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

Ligand: RQE

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BU6B
DFGin BLAminus 1 33.3% 8BU6E
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 8BU6E Q9NYV4 715 1038 1490.0 RQE:61101 Type1 Inactive DFGin 6.9042 14.7933 BLAminus -142.16, 173.3 46.61, 77.13 -86.78, 22.75 290.79, 69.64 -59.06, -38.89 in-out in 8.4663 Saltbr-out 3.7793 HRD-in -71.31, -54.36 76.0, -0.16 out-in-out SNCoio in-out ActLoopNT-in 2.9818 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -121.41, -43.86 APE9-dihe-na -68.68, 149.74 APE8-dihe-in -53.47, 142.92 APE8-rot-out 167.33 APE67-dihe-in -57.01, -34.74 -57.51, -41.34 APE12-dist-in 13.1034 APE11-dist-in 13.0819 APE10-dist-in 7.1799 APE9-dist-in 3.5468 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 E 344.0 324.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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 8BU6B Q9NYV4 715 1039 1490.0 RQE:61101 Type1 Inactive DFGin 6.9772 15.0095 None -127.82, -64.26 -87.77, 91.87 -89.24, 20.45 288.89, 72.08 -65.57, -40.39 in-in in 8.424 Saltbr-in 3.4813 HRD-in -70.61, -57.84 77.83, -2.42 in-in-out SNCiio in-out ActLoopNT-in 3.1224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.14, -54.56 APE9-dihe-na -81.61, 149.37 APE8-dihe-in -53.79, 145.32 APE8-rot-out 74.18 APE67-dihe-in -56.42, -37.71 -55.03, -39.62 APE12-dist-in 13.9274 APE11-dist-in 11.7836 APE10-dist-in 6.969 APE9-dist-in 3.408 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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 8BU6H Q9NYV4 715 1038 1490.0 RQE:61101 Type1 Inactive DFGin 6.8592 15.2278 None -123.73, -80.29 -80.87, 99.66 -87.02, 20.65 285.61, 58.62 -65.39, -44.16 in-out in 8.4216 Saltbr-out 5.0958 HRD-in -73.68, -57.19 78.4, -0.7 out-in-out SNCoio in-out ActLoopNT-in 3.0861 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.54, -53.3 APE9-dihe-na -74.55, 153.16 APE8-dihe-in -53.11, 139.67 APE8-rot-out 166.86 APE67-dihe-in -53.97, -35.01 -57.57, -41.34 APE12-dist-in 13.1365 APE11-dist-in 12.4283 APE10-dist-in 7.0199 APE9-dist-in 3.4215 K965R TPO893 TPO893 XRAY 3.45 0.219 0.249 H 344.0 324.0 0 29 29 0 [[727, 1020]] 1.0 8bu6 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

Ligand: RQE

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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