Ligand: RWE

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% 8BUKB
DFGin BLAminus 1 33.3% 8BUKE
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 8BUKE Q9NYV4 715 1039 1490.0 RWE:61101 Type1 Inactive DFGin 7.1266 15.2054 BLAminus -148.82, 179.05 51.44, 70.31 -90.34, 37.33 288.85, 69.46 -77.88, -21.75 in-in in 8.1145 Saltbr-in 2.9551 HRD-in -69.03, -55.19 75.3, 6.2 in-in-out SNCiio in-out ActLoopNT-in 3.0685 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -77.16, -37.78 APE9-dihe-na -75.17, 151.97 APE8-dihe-in -63.51, 147.07 APE8-rot-out 163.95 APE67-dihe-in -64.24, -27.64 -56.09, -42.19 APE12-dist-in 12.8427 APE11-dist-in 12.4198 APE10-dist-in 6.5654 APE9-dist-in 3.319 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 E 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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 8BUKB Q9NYV4 715 1040 1490.0 RWE:61101 Type1 Inactive DFGin 6.8676 15.185 None -136.79, -63.9 -86.16, 95.92 -96.18, 34.75 292.05, 70.82 -73.05, -21.93 in-in in 7.9967 Saltbr-in 2.8964 HRD-in -70.18, -56.12 75.44, 6.36 in-in-in SNCiii in-in ActLoopNT-in 2.9507 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.1, -51.8 APE9-dihe-na -97.16, 156.72 APE8-dihe-in -60.0, 144.72 APE8-rot-in 296.0 APE67-dihe-in -62.91, -30.64 -55.4, -37.75 APE12-dist-in 13.3442 APE11-dist-in 11.4945 APE10-dist-in 7.2213 APE9-dist-in 3.6338 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 B 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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 8BUKH Q9NYV4 715 1044 1490.0 RWE:61101 Type1 Inactive DFGin 6.839 15.2471 None -132.41, -70.3 -85.48, 98.43 -94.85, 32.62 289.18, 70.32 -75.66, -23.83 in-in in 8.0838 Saltbr-in 3.0875 HRD-in -67.86, -57.14 74.14, 6.98 in-in-out SNCiio in-out ActLoopNT-in 2.8859 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -102.71, -45.22 APE9-dihe-na -97.3, 156.39 APE8-dihe-in -62.45, 146.81 APE8-rot-out 169.98 APE67-dihe-in -63.55, -31.48 -56.16, -39.65 APE12-dist-in 13.6893 APE11-dist-in 11.7966 APE10-dist-in 7.1304 APE9-dist-in 3.7281 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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: RWE

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% 8BUKB
DFGin BLAminus 1 33.3% 8BUKE
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 8BUKE Q9NYV4 715 1039 1490.0 RWE:61101 Type1 Inactive DFGin 7.1266 15.2054 BLAminus -148.82, 179.05 51.44, 70.31 -90.34, 37.33 288.85, 69.46 -77.88, -21.75 in-in in 8.1145 Saltbr-in 2.9551 HRD-in -69.03, -55.19 75.3, 6.2 in-in-out SNCiio in-out ActLoopNT-in 3.0685 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -77.16, -37.78 APE9-dihe-na -75.17, 151.97 APE8-dihe-in -63.51, 147.07 APE8-rot-out 163.95 APE67-dihe-in -64.24, -27.64 -56.09, -42.19 APE12-dist-in 12.8427 APE11-dist-in 12.4198 APE10-dist-in 6.5654 APE9-dist-in 3.319 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 E 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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 8BUKB Q9NYV4 715 1040 1490.0 RWE:61101 Type1 Inactive DFGin 6.8676 15.185 None -136.79, -63.9 -86.16, 95.92 -96.18, 34.75 292.05, 70.82 -73.05, -21.93 in-in in 7.9967 Saltbr-in 2.8964 HRD-in -70.18, -56.12 75.44, 6.36 in-in-in SNCiii in-in ActLoopNT-in 2.9507 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.1, -51.8 APE9-dihe-na -97.16, 156.72 APE8-dihe-in -60.0, 144.72 APE8-rot-in 296.0 APE67-dihe-in -62.91, -30.64 -55.4, -37.75 APE12-dist-in 13.3442 APE11-dist-in 11.4945 APE10-dist-in 7.2213 APE9-dist-in 3.6338 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 B 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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 8BUKH Q9NYV4 715 1044 1490.0 RWE:61101 Type1 Inactive DFGin 6.839 15.2471 None -132.41, -70.3 -85.48, 98.43 -94.85, 32.62 289.18, 70.32 -75.66, -23.83 in-in in 8.0838 Saltbr-in 3.0875 HRD-in -67.86, -57.14 74.14, 6.98 in-in-out SNCiio in-out ActLoopNT-in 2.8859 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -102.71, -45.22 APE9-dihe-na -97.3, 156.39 APE8-dihe-in -62.45, 146.81 APE8-rot-out 169.98 APE67-dihe-in -63.55, -31.48 -56.16, -39.65 APE12-dist-in 13.6893 APE11-dist-in 11.7966 APE10-dist-in 7.1304 APE9-dist-in 3.7281 K965R TPO893 TPO893 XRAY 3.41 0.186 0.21 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8buk 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: RWE

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