Ligand: RQ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8BUQE
DFGin None 1 33.3% 8BUQH
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 8BUQB Q9NYV4 715 1039 1490.0 RQ9:61101 Type1 Inactive DFGin 6.9128 15.3011 BLAminus -151.69, -179.79 53.5, 72.83 -94.44, 24.81 291.0, 75.32 -66.25, -27.07 in-in in 8.2723 Saltbr-in 3.3021 HRD-in -68.63, -54.73 77.99, 1.83 in-in-out SNCiio in-out ActLoopNT-in 2.9427 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.29, -38.77 APE9-dihe-na -81.13, 155.19 APE8-dihe-in -64.33, 147.28 APE8-rot-out 195.9 APE67-dihe-in -60.12, -28.17 -56.8, -43.77 APE12-dist-in 13.5591 APE11-dist-in 12.0036 APE10-dist-in 6.4297 APE9-dist-in 3.5058 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 B 344.0 321.0 4 29 29 0 [[727, 1020]] 1.0 8buq 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 8BUQE Q9NYV4 715 1027 1490.0 RQ9:61101 Type1 Inactive DFGin 7.3625 15.3415 BLAminus -149.68, 178.7 52.88, 71.39 -93.43, 23.22 287.54, 76.39 -69.29, -26.75 in-in in 8.1446 Saltbr-in 3.1498 HRD-in -69.4, -56.77 77.16, 3.04 in-in-out SNCiio in-out ActLoopNT-in 3.0159 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -114.18, -38.9 APE9-dihe-na -82.51, 153.34 APE8-dihe-in -63.97, 150.36 APE8-rot-out 173.3 APE67-dihe-in -60.97, -26.14 -55.24, -44.87 APE12-dist-in 13.1923 APE11-dist-in 12.4633 APE10-dist-in 6.9357 APE9-dist-in 3.3361 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 E 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8buq 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 8BUQH Q9NYV4 715 1035 1490.0 RQ9:61101 Type1 Inactive DFGin 6.8471 15.4131 None -139.0, -68.9 -74.65, 86.14 -87.77, 25.62 285.6, 75.05 -68.98, -27.88 in-in in 8.1409 Saltbr-in 3.3418 HRD-in -71.56, -55.82 75.32, -0.25 in-in-out SNCiio in-out ActLoopNT-in 2.808 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -115.77, -46.85 APE9-dihe-na -88.37, 155.15 APE8-dihe-in -63.62, 147.91 APE8-rot-out 74.55 APE67-dihe-in -59.91, -28.34 -56.29, -43.5 APE12-dist-in 13.7059 APE11-dist-in 11.9801 APE10-dist-in 7.0593 APE9-dist-in 3.5434 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 H 344.0 321.0 0 29 29 0 [[727, 1020]] 1.0 8buq 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: RQ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 8BUQE
DFGin None 1 33.3% 8BUQH
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 8BUQB Q9NYV4 715 1039 1490.0 RQ9:61101 Type1 Inactive DFGin 6.9128 15.3011 BLAminus -151.69, -179.79 53.5, 72.83 -94.44, 24.81 291.0, 75.32 -66.25, -27.07 in-in in 8.2723 Saltbr-in 3.3021 HRD-in -68.63, -54.73 77.99, 1.83 in-in-out SNCiio in-out ActLoopNT-in 2.9427 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.29, -38.77 APE9-dihe-na -81.13, 155.19 APE8-dihe-in -64.33, 147.28 APE8-rot-out 195.9 APE67-dihe-in -60.12, -28.17 -56.8, -43.77 APE12-dist-in 13.5591 APE11-dist-in 12.0036 APE10-dist-in 6.4297 APE9-dist-in 3.5058 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 B 344.0 321.0 4 29 29 0 [[727, 1020]] 1.0 8buq 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 8BUQE Q9NYV4 715 1027 1490.0 RQ9:61101 Type1 Inactive DFGin 7.3625 15.3415 BLAminus -149.68, 178.7 52.88, 71.39 -93.43, 23.22 287.54, 76.39 -69.29, -26.75 in-in in 8.1446 Saltbr-in 3.1498 HRD-in -69.4, -56.77 77.16, 3.04 in-in-out SNCiio in-out ActLoopNT-in 3.0159 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -114.18, -38.9 APE9-dihe-na -82.51, 153.34 APE8-dihe-in -63.97, 150.36 APE8-rot-out 173.3 APE67-dihe-in -60.97, -26.14 -55.24, -44.87 APE12-dist-in 13.1923 APE11-dist-in 12.4633 APE10-dist-in 6.9357 APE9-dist-in 3.3361 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 E 344.0 313.0 0 29 29 0 [[727, 1020]] 1.0 8buq 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 8BUQH Q9NYV4 715 1035 1490.0 RQ9:61101 Type1 Inactive DFGin 6.8471 15.4131 None -139.0, -68.9 -74.65, 86.14 -87.77, 25.62 285.6, 75.05 -68.98, -27.88 in-in in 8.1409 Saltbr-in 3.3418 HRD-in -71.56, -55.82 75.32, -0.25 in-in-out SNCiio in-out ActLoopNT-in 2.808 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -115.77, -46.85 APE9-dihe-na -88.37, 155.15 APE8-dihe-in -63.62, 147.91 APE8-rot-out 74.55 APE67-dihe-in -59.91, -28.34 -56.29, -43.5 APE12-dist-in 13.7059 APE11-dist-in 11.9801 APE10-dist-in 7.0593 APE9-dist-in 3.5434 K965R TPO893 TPO893 XRAY 3.2 0.196 0.216 H 344.0 321.0 0 29 29 0 [[727, 1020]] 1.0 8buq 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: RQ9

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