Ligand: RQU

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BURE
DFGin BLAminus 1 33.3% 8BURB
DFGin None 1 33.3% 8BURH
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 8BURE Q9NYV4 715 1040 1490.0 RQU:61101 Type1 Inactive DFGin 6.8845 15.8442 ABAminus -134.08, -49.7 -100.21, 93.56 -92.36, 24.23 284.18, 80.41 -66.46, -36.08 in-in in 8.2155 Saltbr-in 2.802 HRD-in -63.9, -48.8 70.15, 6.43 in-in-out SNCiio in-out ActLoopNT-in 2.9274 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -92.25, -40.02 APE9-dihe-na -84.05, 150.42 APE8-dihe-in -60.84, 144.54 APE8-rot-out 183.23 APE67-dihe-in -64.31, -32.85 -49.71, -40.37 APE12-dist-in 12.2442 APE11-dist-in 11.971 APE10-dist-in 6.5332 APE9-dist-in 3.8503 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 E 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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 8BURB Q9NYV4 715 1044 1490.0 RQU:61101 Type1 Inactive DFGin 7.0125 15.984 BLAminus -143.02, -172.66 43.3, 72.03 -94.19, 20.72 281.71, 86.88 -65.05, -33.85 in-in in 8.3112 Saltbr-in 3.3362 HRD-in -64.7, -53.19 72.64, 8.15 in-in-out SNCiio in-out ActLoopNT-in 2.9707 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -98.84, -39.21 APE9-dihe-na -79.75, 149.9 APE8-dihe-in -61.25, 143.48 APE8-rot-out 176.27 APE67-dihe-in -64.0, -30.04 -50.29, -42.66 APE12-dist-in 13.2177 APE11-dist-in 12.7649 APE10-dist-in 7.1593 APE9-dist-in 3.4474 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 B 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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 8BURH Q9NYV4 715 1039 1490.0 RQU:61101 Type1 Inactive DFGin 6.7739 15.4438 None -128.98, -68.65 -83.3, 94.14 -94.27, 19.71 289.32, 85.87 -66.64, -31.92 in-in in 8.1448 Saltbr-in 2.8791 HRD-in -62.95, -51.76 69.51, 6.54 in-in-out SNCiio in-out ActLoopNT-in 3.108 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.35, -54.64 APE9-dihe-na -87.35, 151.65 APE8-dihe-in -60.57, 144.24 APE8-rot-out 76.95 APE67-dihe-in -62.32, -33.37 -50.2, -40.95 APE12-dist-in 13.7432 APE11-dist-in 11.6616 APE10-dist-in 7.0858 APE9-dist-in 3.6711 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 H 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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: RQU

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BURE
DFGin BLAminus 1 33.3% 8BURB
DFGin None 1 33.3% 8BURH
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 8BURE Q9NYV4 715 1040 1490.0 RQU:61101 Type1 Inactive DFGin 6.8845 15.8442 ABAminus -134.08, -49.7 -100.21, 93.56 -92.36, 24.23 284.18, 80.41 -66.46, -36.08 in-in in 8.2155 Saltbr-in 2.802 HRD-in -63.9, -48.8 70.15, 6.43 in-in-out SNCiio in-out ActLoopNT-in 2.9274 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -92.25, -40.02 APE9-dihe-na -84.05, 150.42 APE8-dihe-in -60.84, 144.54 APE8-rot-out 183.23 APE67-dihe-in -64.31, -32.85 -49.71, -40.37 APE12-dist-in 12.2442 APE11-dist-in 11.971 APE10-dist-in 6.5332 APE9-dist-in 3.8503 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 E 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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 8BURB Q9NYV4 715 1044 1490.0 RQU:61101 Type1 Inactive DFGin 7.0125 15.984 BLAminus -143.02, -172.66 43.3, 72.03 -94.19, 20.72 281.71, 86.88 -65.05, -33.85 in-in in 8.3112 Saltbr-in 3.3362 HRD-in -64.7, -53.19 72.64, 8.15 in-in-out SNCiio in-out ActLoopNT-in 2.9707 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -98.84, -39.21 APE9-dihe-na -79.75, 149.9 APE8-dihe-in -61.25, 143.48 APE8-rot-out 176.27 APE67-dihe-in -64.0, -30.04 -50.29, -42.66 APE12-dist-in 13.2177 APE11-dist-in 12.7649 APE10-dist-in 7.1593 APE9-dist-in 3.4474 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 B 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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 8BURH Q9NYV4 715 1039 1490.0 RQU:61101 Type1 Inactive DFGin 6.7739 15.4438 None -128.98, -68.65 -83.3, 94.14 -94.27, 19.71 289.32, 85.87 -66.64, -31.92 in-in in 8.1448 Saltbr-in 2.8791 HRD-in -62.95, -51.76 69.51, 6.54 in-in-out SNCiio in-out ActLoopNT-in 3.108 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.35, -54.64 APE9-dihe-na -87.35, 151.65 APE8-dihe-in -60.57, 144.24 APE8-rot-out 76.95 APE67-dihe-in -62.32, -33.37 -50.2, -40.95 APE12-dist-in 13.7432 APE11-dist-in 11.6616 APE10-dist-in 7.0858 APE9-dist-in 3.6711 K965R TPO893 TPO893 XRAY 3.64 0.192 0.234 H 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bur 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: RQU

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