Ligand: RVQ

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 8BU2H
DFGin None 1 50.0% 8BU2B
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 8BU2H Q9NYV4 715 1043 1490.0 RVQ:61101 Type1 Inactive DFGin 7.1243 15.3663 ABAminus -126.78, -38.9 -105.5, 92.35 -91.27, 30.22 285.75, 68.07 -78.32, -11.53 in-in in 7.7854 Saltbr-in 3.3155 HRD-in -76.93, -54.56 71.73, 6.27 in-in-in SNCiii in-in ActLoopNT-in 2.7922 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.54, -42.84 APE9-dihe-na -100.7, 153.79 APE8-dihe-in -58.19, 144.22 APE8-rot-in 306.05 APE67-dihe-in -62.43, -37.08 -51.71, -42.2 APE12-dist-in 13.8509 APE11-dist-in 11.9364 APE10-dist-in 7.2084 APE9-dist-in 3.6382 K965R TPO893 TPO893 XRAY 3.13 0.193 0.217 H 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8bu2 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 8BU2B Q9NYV4 715 1041 1490.0 RVQ:61101 Type1 Inactive DFGin 6.9805 15.316 None -126.39, -67.8 -89.47, 99.61 -92.58, 32.18 287.62, 78.29 -74.11, -9.98 in-in in 7.7621 Saltbr-in 3.4941 HRD-in -72.7, -49.44 72.16, 4.81 in-in-in SNCiii in-in ActLoopNT-in 2.9597 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.12, -45.69 APE9-dihe-na -96.32, 148.59 APE8-dihe-in -57.39, 143.59 APE8-rot-in 288.86 APE67-dihe-in -63.0, -36.42 -47.95, -40.21 APE12-dist-in 13.5359 APE11-dist-in 11.7305 APE10-dist-in 7.073 APE9-dist-in 3.726 K965R TPO893 TPO893 XRAY 3.13 0.193 0.217 B 344.0 327.0 0 29 29 0 [[727, 1020]] 1.0 8bu2 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: RVQ

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 8BU2H
DFGin None 1 50.0% 8BU2B
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 8BU2H Q9NYV4 715 1043 1490.0 RVQ:61101 Type1 Inactive DFGin 7.1243 15.3663 ABAminus -126.78, -38.9 -105.5, 92.35 -91.27, 30.22 285.75, 68.07 -78.32, -11.53 in-in in 7.7854 Saltbr-in 3.3155 HRD-in -76.93, -54.56 71.73, 6.27 in-in-in SNCiii in-in ActLoopNT-in 2.7922 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.54, -42.84 APE9-dihe-na -100.7, 153.79 APE8-dihe-in -58.19, 144.22 APE8-rot-in 306.05 APE67-dihe-in -62.43, -37.08 -51.71, -42.2 APE12-dist-in 13.8509 APE11-dist-in 11.9364 APE10-dist-in 7.2084 APE9-dist-in 3.6382 K965R TPO893 TPO893 XRAY 3.13 0.193 0.217 H 344.0 329.0 0 29 29 0 [[727, 1020]] 1.0 8bu2 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 8BU2B Q9NYV4 715 1041 1490.0 RVQ:61101 Type1 Inactive DFGin 6.9805 15.316 None -126.39, -67.8 -89.47, 99.61 -92.58, 32.18 287.62, 78.29 -74.11, -9.98 in-in in 7.7621 Saltbr-in 3.4941 HRD-in -72.7, -49.44 72.16, 4.81 in-in-in SNCiii in-in ActLoopNT-in 2.9597 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.12, -45.69 APE9-dihe-na -96.32, 148.59 APE8-dihe-in -57.39, 143.59 APE8-rot-in 288.86 APE67-dihe-in -63.0, -36.42 -47.95, -40.21 APE12-dist-in 13.5359 APE11-dist-in 11.7305 APE10-dist-in 7.073 APE9-dist-in 3.726 K965R TPO893 TPO893 XRAY 3.13 0.193 0.217 B 344.0 327.0 0 29 29 0 [[727, 1020]] 1.0 8bu2 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: RVQ

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