Ligand: RSI

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BU3B
DFGin BLAminus 1 33.3% 8BU3E
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 8BU3E Q9NYV4 715 1039 1490.0 RSI:1101 Type1 Active DFGin 7.1413 15.5345 BLAminus -142.27, 178.66 43.04, 82.11 -92.94, 21.36 280.44, 78.98 -62.21, -28.8 in-in in 8.1181 Saltbr-in 3.0489 HRD-in -67.4, -56.47 76.99, -0.73 in-in-in SNCiii in-in ActLoopNT-in 2.9745 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.29, 7.21 APE9-dihe-na -139.88, 150.07 APE8-dihe-in -59.05, 143.88 APE8-rot-in 303.03 APE67-dihe-in -61.38, -34.53 -56.72, -42.72 APE12-dist-in 13.1066 APE11-dist-in 12.7602 APE10-dist-in 7.1748 APE9-dist-in 3.4462 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 E 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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 8BU3B Q9NYV4 715 1040 1490.0 RSI:1101 Type1 Inactive DFGin 6.8486 15.3593 None -135.97, -63.81 -78.62, 93.23 -91.89, 22.93 285.59, 76.13 -60.89, -23.4 in-in in 7.9934 Saltbr-in 2.817 HRD-in -67.65, -55.64 77.98, -1.58 in-in-in SNCiii in-in ActLoopNT-in 3.0522 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.96, -44.7 APE9-dihe-na -101.31, 148.75 APE8-dihe-in -59.73, 145.03 APE8-rot-in 305.94 APE67-dihe-in -60.6, -36.33 -55.27, -39.92 APE12-dist-in 13.312 APE11-dist-in 11.5417 APE10-dist-in 7.0493 APE9-dist-in 3.3827 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 B 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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 8BU3H Q9NYV4 715 1044 1490.0 RSI:1101 Type1 Inactive DFGin 6.9756 15.4654 None -130.35, -57.76 -91.85, 92.73 -91.21, 19.54 285.51, 78.88 -63.9, -27.23 in-in in 8.132 Saltbr-in 3.2809 HRD-in -66.37, -58.1 77.05, -1.53 in-in-out SNCiio in-out ActLoopNT-in 3.0176 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.62, -44.32 APE9-dihe-na -91.3, 148.63 APE8-dihe-in -63.87, 147.34 APE8-rot-out 172.41 APE67-dihe-in -60.12, -36.58 -54.35, -41.92 APE12-dist-in 13.7142 APE11-dist-in 11.8523 APE10-dist-in 6.8179 APE9-dist-in 3.3613 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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: RSI

Total number of chains: 3
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 66.7% 8BU3B
DFGin BLAminus 1 33.3% 8BU3E
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 8BU3E Q9NYV4 715 1039 1490.0 RSI:1101 Type1 Active DFGin 7.1413 15.5345 BLAminus -142.27, 178.66 43.04, 82.11 -92.94, 21.36 280.44, 78.98 -62.21, -28.8 in-in in 8.1181 Saltbr-in 3.0489 HRD-in -67.4, -56.47 76.99, -0.73 in-in-in SNCiii in-in ActLoopNT-in 2.9745 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -114.29, 7.21 APE9-dihe-na -139.88, 150.07 APE8-dihe-in -59.05, 143.88 APE8-rot-in 303.03 APE67-dihe-in -61.38, -34.53 -56.72, -42.72 APE12-dist-in 13.1066 APE11-dist-in 12.7602 APE10-dist-in 7.1748 APE9-dist-in 3.4462 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 E 344.0 325.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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 8BU3B Q9NYV4 715 1040 1490.0 RSI:1101 Type1 Inactive DFGin 6.8486 15.3593 None -135.97, -63.81 -78.62, 93.23 -91.89, 22.93 285.59, 76.13 -60.89, -23.4 in-in in 7.9934 Saltbr-in 2.817 HRD-in -67.65, -55.64 77.98, -1.58 in-in-in SNCiii in-in ActLoopNT-in 3.0522 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.96, -44.7 APE9-dihe-na -101.31, 148.75 APE8-dihe-in -59.73, 145.03 APE8-rot-in 305.94 APE67-dihe-in -60.6, -36.33 -55.27, -39.92 APE12-dist-in 13.312 APE11-dist-in 11.5417 APE10-dist-in 7.0493 APE9-dist-in 3.3827 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 B 344.0 326.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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 8BU3H Q9NYV4 715 1044 1490.0 RSI:1101 Type1 Inactive DFGin 6.9756 15.4654 None -130.35, -57.76 -91.85, 92.73 -91.21, 19.54 285.51, 78.88 -63.9, -27.23 in-in in 8.132 Saltbr-in 3.2809 HRD-in -66.37, -58.1 77.05, -1.53 in-in-out SNCiio in-out ActLoopNT-in 3.0176 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.62, -44.32 APE9-dihe-na -91.3, 148.63 APE8-dihe-in -63.87, 147.34 APE8-rot-out 172.41 APE67-dihe-in -60.12, -36.58 -54.35, -41.92 APE12-dist-in 13.7142 APE11-dist-in 11.8523 APE10-dist-in 6.8179 APE9-dist-in 3.3613 K965R TPO893 TPO893 XRAY 3.42 0.187 0.213 H 344.0 330.0 0 29 29 0 [[727, 1020]] 1.0 8bu3 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: RSI

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