Ligand: RVH

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 8BUAB
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 8BUAB Q9NYV4 715 1039 1490.0 RVH:1101 Type1 Inactive DFGin 6.6602 15.3703 ABAminus -132.25, -47.59 -83.62, 100.61 -101.79, 23.05 288.11, 77.38 -59.48, -33.33 in-in in 8.0717 Saltbr-in 2.9334 HRD-in -66.14, -55.51 74.2, 0.02 in-in-in SNCiii in-in ActLoopNT-in 2.9584 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.76, -47.66 APE9-dihe-na -82.97, 151.34 APE8-dihe-in -63.64, 142.13 APE8-rot-in 293.22 APE67-dihe-in -60.49, -35.73 -49.76, -42.55 APE12-dist-in 13.5676 APE11-dist-in 11.7656 APE10-dist-in 6.6656 APE9-dist-in 3.5427 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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 8BUAE Q9NYV4 715 1033 1490.0 RVH:1101 Type1 Inactive DFGin 6.9569 15.0827 ABAminus -126.35, -57.7 -89.06, 99.95 -100.88, 19.34 288.21, 78.03 -60.59, -33.21 in-out in 8.3642 Saltbr-out 3.6783 HRD-in -67.84, -57.25 75.2, 0.85 out-in-out SNCoio in-out ActLoopNT-in 2.9234 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -70.04, -46.21 APE9-dihe-na -79.96, 152.67 APE8-dihe-in -66.28, 142.61 APE8-rot-out 169.95 APE67-dihe-in -61.55, -33.2 -51.95, -45.85 APE12-dist-in 13.685 APE11-dist-in 12.0864 APE10-dist-in 6.7662 APE9-dist-in 3.4225 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 E 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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 8BUAH Q9NYV4 715 1034 1490.0 RVH:1101 Type1 Inactive DFGin 6.8833 15.4199 ABAminus -126.04, -56.2 -88.9, 101.16 -97.82, 20.48 283.52, 73.51 -61.26, -31.16 in-in in 7.9328 Saltbr-in 2.9687 HRD-in -68.56, -58.56 73.11, 1.68 in-in-out SNCiio in-out ActLoopNT-in 2.8965 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -115.42, -52.09 APE9-dihe-na -83.64, 155.3 APE8-dihe-in -61.52, 141.11 APE8-rot-in 293.24 APE67-dihe-in -60.38, -38.31 -51.83, -39.97 APE12-dist-out 14.0879 APE11-dist-in 12.2501 APE10-dist-in 7.2726 APE9-dist-in 3.5461 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 H 344.0 320.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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: RVH

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 8BUAB
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 8BUAB Q9NYV4 715 1039 1490.0 RVH:1101 Type1 Inactive DFGin 6.6602 15.3703 ABAminus -132.25, -47.59 -83.62, 100.61 -101.79, 23.05 288.11, 77.38 -59.48, -33.33 in-in in 8.0717 Saltbr-in 2.9334 HRD-in -66.14, -55.51 74.2, 0.02 in-in-in SNCiii in-in ActLoopNT-in 2.9584 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.76, -47.66 APE9-dihe-na -82.97, 151.34 APE8-dihe-in -63.64, 142.13 APE8-rot-in 293.22 APE67-dihe-in -60.49, -35.73 -49.76, -42.55 APE12-dist-in 13.5676 APE11-dist-in 11.7656 APE10-dist-in 6.6656 APE9-dist-in 3.5427 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 B 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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 8BUAE Q9NYV4 715 1033 1490.0 RVH:1101 Type1 Inactive DFGin 6.9569 15.0827 ABAminus -126.35, -57.7 -89.06, 99.95 -100.88, 19.34 288.21, 78.03 -60.59, -33.21 in-out in 8.3642 Saltbr-out 3.6783 HRD-in -67.84, -57.25 75.2, 0.85 out-in-out SNCoio in-out ActLoopNT-in 2.9234 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -70.04, -46.21 APE9-dihe-na -79.96, 152.67 APE8-dihe-in -66.28, 142.61 APE8-rot-out 169.95 APE67-dihe-in -61.55, -33.2 -51.95, -45.85 APE12-dist-in 13.685 APE11-dist-in 12.0864 APE10-dist-in 6.7662 APE9-dist-in 3.4225 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 E 344.0 319.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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 8BUAH Q9NYV4 715 1034 1490.0 RVH:1101 Type1 Inactive DFGin 6.8833 15.4199 ABAminus -126.04, -56.2 -88.9, 101.16 -97.82, 20.48 283.52, 73.51 -61.26, -31.16 in-in in 7.9328 Saltbr-in 2.9687 HRD-in -68.56, -58.56 73.11, 1.68 in-in-out SNCiio in-out ActLoopNT-in 2.8965 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -115.42, -52.09 APE9-dihe-na -83.64, 155.3 APE8-dihe-in -61.52, 141.11 APE8-rot-in 293.24 APE67-dihe-in -60.38, -38.31 -51.83, -39.97 APE12-dist-out 14.0879 APE11-dist-in 12.2501 APE10-dist-in 7.2726 APE9-dist-in 3.5461 K965R TPO893 TPO893 XRAY 3.193 0.202 0.225 H 344.0 320.0 0 29 29 0 [[727, 1020]] 1.0 8bua 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: RVH

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