Ligand: 8M1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6CKXA
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 6CKXA Q9NYV4 722 1024 1490.0 8M1:1102 Type1 Inactive DFGin 7.032 14.821 BLAminus -136.28, -177.03 50.17, 81.66 -95.72, 28.97 286.79, 82.51 -69.6, -12.29 in-in in 8.9773 Saltbr-in 3.0837 HRD-in -75.68, -51.15 65.95, 11.38 in-in-out SNCiio in-out ActLoopNT-in 3.1223 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.15, 162.82 APE9-dihe-na 64.99, 132.37 APE8-dihe-in -65.8, 148.5 APE8-rot-out 58.87 APE67-dihe-in -65.02, -18.1 -33.35, -57.74 APE12-dist-in 13.1407 APE11-dist-in 11.0604 APE10-dist-in 6.8749 APE9-dist-in 3.4947 None TPO893 TPO893 XRAY 2.8 0.21 0.251 A 351.0 293.0 10 29 29 0 [[727, 1020]] 1.0 6ckx CMGC_CDK12_HUMAN CMGC 2.9e-84 288.8 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 6CKXC Q9NYV4 722 1024 1490.0 8M1:1102 Type1 Inactive DFGin 6.9855 14.7579 BLAminus -135.84, -177.96 50.19, 82.31 -95.98, 27.29 286.66, 82.56 -71.33, -10.74 in-in in 8.9818 Saltbr-in 3.064 HRD-in -76.42, -51.05 66.38, 11.81 in-in-out SNCiio in-out ActLoopNT-in 3.093 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.35, 161.59 APE9-dihe-na 66.9, 134.68 APE8-dihe-in -66.86, 147.72 APE8-rot-out 60.13 APE67-dihe-in -63.67, -17.47 -33.52, -58.49 APE12-dist-in 13.1506 APE11-dist-in 11.1875 APE10-dist-in 6.9301 APE9-dist-in 3.5241 None TPO893 TPO893 XRAY 2.8 0.21 0.251 C 351.0 293.0 10 29 29 0 [[727, 1020]] 1.0 6ckx CMGC_CDK12_HUMAN CMGC 2.9e-84 288.8 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: 8M1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6CKXA
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 6CKXA Q9NYV4 722 1024 1490.0 8M1:1102 Type1 Inactive DFGin 7.032 14.821 BLAminus -136.28, -177.03 50.17, 81.66 -95.72, 28.97 286.79, 82.51 -69.6, -12.29 in-in in 8.9773 Saltbr-in 3.0837 HRD-in -75.68, -51.15 65.95, 11.38 in-in-out SNCiio in-out ActLoopNT-in 3.1223 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.15, 162.82 APE9-dihe-na 64.99, 132.37 APE8-dihe-in -65.8, 148.5 APE8-rot-out 58.87 APE67-dihe-in -65.02, -18.1 -33.35, -57.74 APE12-dist-in 13.1407 APE11-dist-in 11.0604 APE10-dist-in 6.8749 APE9-dist-in 3.4947 None TPO893 TPO893 XRAY 2.8 0.21 0.251 A 351.0 293.0 10 29 29 0 [[727, 1020]] 1.0 6ckx Homo sapiens CMGC_CDK12_HUMAN CMGC 2.9e-84 288.8 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 6CKXC Q9NYV4 722 1024 1490.0 8M1:1102 Type1 Inactive DFGin 6.9855 14.7579 BLAminus -135.84, -177.96 50.19, 82.31 -95.98, 27.29 286.66, 82.56 -71.33, -10.74 in-in in 8.9818 Saltbr-in 3.064 HRD-in -76.42, -51.05 66.38, 11.81 in-in-out SNCiio in-out ActLoopNT-in 3.093 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.35, 161.59 APE9-dihe-na 66.9, 134.68 APE8-dihe-in -66.86, 147.72 APE8-rot-out 60.13 APE67-dihe-in -63.67, -17.47 -33.52, -58.49 APE12-dist-in 13.1506 APE11-dist-in 11.1875 APE10-dist-in 6.9301 APE9-dist-in 3.5241 None TPO893 TPO893 XRAY 2.8 0.21 0.251 C 351.0 293.0 10 29 29 0 [[727, 1020]] 1.0 6ckx Homo sapiens CMGC_CDK12_HUMAN CMGC 2.9e-84 288.8 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: 8M1

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