Ligand: T3E

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 4BCKA
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 CDK2 CDK2_HUMAN 4BCKA P24941 1 297 298.0 T3E:61298 Type1 Active DFGin 6.708 16.1382 BLAminus -140.99, 173.78 58.44, 83.6 -95.16, 19.86 283.39, 68.83 -69.82, -20.58 in-in in 9.4215 Saltbr-in 2.8732 HRD-in -80.61, -55.25 69.65, 13.56 in-in-in SNCiii in-in ActLoopNT-in 3.1286 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -74.97, 173.0 APE9-dihe-na 76.02, 130.96 APE8-dihe-in -51.63, 139.66 APE8-rot-in 300.99 APE67-dihe-in -63.31, -21.83 -54.68, -46.07 APE12-dist-in 13.7957 APE11-dist-in 12.7619 APE10-dist-in 7.712 APE9-dist-in 3.5634 None TPO160 TPO160 XRAY 2.052 0.195 0.236 A 300.0 297.0 0 28 28 0 [[4, 286]] 1.0 4bck CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4BCKC P24941 1 294 298.0 T3E:61295 Type1 Active DFGin 6.7135 16.0998 BLAminus -148.76, 176.83 54.28, 81.47 -98.59, 19.66 274.57, 70.83 -77.07, -1.86 in-in in 9.4217 Saltbr-in 3.1131 HRD-in -81.61, -58.04 70.59, 16.83 in-in-in SNCiii in-in ActLoopNT-in 3.136 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.72, 152.92 APE9-dihe-na 73.06, 130.65 APE8-dihe-in -61.38, 138.76 APE8-rot-in 293.18 APE67-dihe-in -52.53, -29.03 -44.77, -57.29 APE12-dist-in 13.4729 APE11-dist-in 10.45 APE10-dist-in 7.3712 APE9-dist-in 3.5133 None TPO160 TPO160 XRAY 2.052 0.195 0.236 C 300.0 292.0 2 28 28 0 [[4, 286]] 1.0 4bck CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK9 CDK9_HUMAN 4BCIA P50750 5 326 372.0 T3E:1327 Type1 Inactive DFGin 7.0993 15.1819 BLAminus -131.07, 172.91 63.16, 77.79 -97.71, 24.25 283.9, 77.6 -66.92, -23.58 in-out in 9.472 Saltbr-out 4.196 HRD-in -77.09, -44.37 66.65, 15.51 out-in-in SNCoii in-in ActLoopNT-in 2.8874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.81, 155.45 APE9-dihe-na 82.12, 132.8 APE8-dihe-in -46.04, 142.98 APE8-rot-in 310.28 APE67-dihe-in -70.86, -24.72 -49.47, -47.11 APE12-dist-in 13.1009 APE11-dist-in 11.1559 APE10-dist-in 6.8281 APE9-dist-in 3.348 None TPO186 TPO186 XRAY 3.1 0.18 0.221 A 331.0 309.0 13 32 28 4 [[19, 315]] 1.0 4bci CMGC_CDK9_HUMAN CMGC 4.1e-80 275.1 1.0 301.0 301.0 166 167 168 170 172 48 66 70 146 148 147 149.0 211 198 193 192 191 190 189 188 187 104 Cyclin-dependent kinase 9

Ligand: T3E

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 4BCKA
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 CDK2 CDK2_HUMAN 4BCKA P24941 1 297 298.0 T3E:61298 Type1 Active DFGin 6.708 16.1382 BLAminus -140.99, 173.78 58.44, 83.6 -95.16, 19.86 283.39, 68.83 -69.82, -20.58 in-in in 9.4215 Saltbr-in 2.8732 HRD-in -80.61, -55.25 69.65, 13.56 in-in-in SNCiii in-in ActLoopNT-in 3.1286 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -74.97, 173.0 APE9-dihe-na 76.02, 130.96 APE8-dihe-in -51.63, 139.66 APE8-rot-in 300.99 APE67-dihe-in -63.31, -21.83 -54.68, -46.07 APE12-dist-in 13.7957 APE11-dist-in 12.7619 APE10-dist-in 7.712 APE9-dist-in 3.5634 None TPO160 TPO160 XRAY 2.052 0.195 0.236 A 300.0 297.0 0 28 28 0 [[4, 286]] 1.0 4bck Homo sapiens CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4BCKC P24941 1 294 298.0 T3E:61295 Type1 Active DFGin 6.7135 16.0998 BLAminus -148.76, 176.83 54.28, 81.47 -98.59, 19.66 274.57, 70.83 -77.07, -1.86 in-in in 9.4217 Saltbr-in 3.1131 HRD-in -81.61, -58.04 70.59, 16.83 in-in-in SNCiii in-in ActLoopNT-in 3.136 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.72, 152.92 APE9-dihe-na 73.06, 130.65 APE8-dihe-in -61.38, 138.76 APE8-rot-in 293.18 APE67-dihe-in -52.53, -29.03 -44.77, -57.29 APE12-dist-in 13.4729 APE11-dist-in 10.45 APE10-dist-in 7.3712 APE9-dist-in 3.5133 None TPO160 TPO160 XRAY 2.052 0.195 0.236 C 300.0 292.0 2 28 28 0 [[4, 286]] 1.0 4bck Homo sapiens CMGC_CDK2_HUMAN CMGC 6.5e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK9 CDK9_HUMAN 4BCIA P50750 5 326 372.0 T3E:1327 Type1 Inactive DFGin 7.0993 15.1819 BLAminus -131.07, 172.91 63.16, 77.79 -97.71, 24.25 283.9, 77.6 -66.92, -23.58 in-out in 9.472 Saltbr-out 4.196 HRD-in -77.09, -44.37 66.65, 15.51 out-in-in SNCoii in-in ActLoopNT-in 2.8874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.81, 155.45 APE9-dihe-na 82.12, 132.8 APE8-dihe-in -46.04, 142.98 APE8-rot-in 310.28 APE67-dihe-in -70.86, -24.72 -49.47, -47.11 APE12-dist-in 13.1009 APE11-dist-in 11.1559 APE10-dist-in 6.8281 APE9-dist-in 3.348 None TPO186 TPO186 XRAY 3.1 0.18 0.221 A 331.0 309.0 13 32 28 4 [[19, 315]] 1.0 4bci Homo sapiens CMGC_CDK9_HUMAN CMGC 4.1e-80 275.1 1.0 301.0 301.0 166 167 168 170 172 48 66 70 146 148 147 149.0 211 198 193 192 191 190 189 188 187 104 Cyclin-dependent kinase 9

Ligand: T3E

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