Ligand: T3C

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% 4BCPA
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 4BCPA P24941 1 298 298.0 T3C:61299 Type1 Active DFGin 6.5332 15.1905 BLAminus -134.13, 171.23 58.95, 82.45 -95.65, 26.87 280.18, 67.61 -65.02, -23.04 in-in in 8.4812 Saltbr-in 2.7321 HRD-in -79.81, -52.77 71.84, 11.29 in-in-in SNCiii in-in ActLoopNT-in 3.0361 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.96, 155.67 APE9-dihe-na 72.11, 128.19 APE8-dihe-in -58.21, 133.91 APE8-rot-in 298.79 APE67-dihe-in -52.89, -28.0 -40.02, -53.78 APE12-dist-in 12.9386 APE11-dist-in 10.2828 APE10-dist-in 6.9803 APE9-dist-in 3.1279 None TPO160 TPO160 XRAY 2.26 0.183 0.217 A 300.0 298.0 0 28 28 0 [[4, 286]] 1.0 4bcp 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 4BCPC P24941 1 296 298.0 T3C:61297 Type1 Active DFGin 6.4029 15.2626 BLAminus -138.65, 173.95 55.78, 79.54 -94.55, 33.05 285.17, 67.29 -71.14, -20.19 in-in in 8.7962 Saltbr-in 2.6822 HRD-in -80.06, -56.76 72.61, 10.41 in-in-in SNCiii in-in ActLoopNT-in 3.0651 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.86, 153.55 APE9-dihe-na 70.9, 126.48 APE8-dihe-in -52.55, 138.72 APE8-rot-in 308.97 APE67-dihe-in -53.33, -25.64 -40.93, -57.86 APE12-dist-in 12.705 APE11-dist-in 9.8164 APE10-dist-in 6.7355 APE9-dist-in 3.2068 None TPO160 TPO160 XRAY 2.26 0.183 0.217 C 300.0 267.0 29 28 28 0 [[4, 286]] 1.0 4bcp 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 4BCGA P50750 7 327 372.0 T3C:1328 Type1 Inactive DFGin 7.1337 15.2439 BLAminus -132.48, 173.97 58.32, 78.23 -93.26, 24.05 284.24, 75.68 -68.96, -23.34 in-out in 9.462 Saltbr-out 4.6472 HRD-in -78.18, -44.27 68.6, 10.18 out-in-in SNCoii in-in ActLoopNT-in 2.8777 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.1, 147.31 APE9-dihe-na 81.87, 132.15 APE8-dihe-in -51.72, 141.44 APE8-rot-in 291.43 APE67-dihe-in -63.63, -25.74 -50.67, -46.04 APE12-dist-in 13.1093 APE11-dist-in 10.2311 APE10-dist-in 6.9327 APE9-dist-in 3.1792 None TPO186 TPO186 XRAY 3.085 0.163 0.197 A 331.0 313.0 8 32 32 0 [[19, 315]] 1.0 4bcg 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: T3C

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% 4BCPA
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 4BCPA P24941 1 298 298.0 T3C:61299 Type1 Active DFGin 6.5332 15.1905 BLAminus -134.13, 171.23 58.95, 82.45 -95.65, 26.87 280.18, 67.61 -65.02, -23.04 in-in in 8.4812 Saltbr-in 2.7321 HRD-in -79.81, -52.77 71.84, 11.29 in-in-in SNCiii in-in ActLoopNT-in 3.0361 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.96, 155.67 APE9-dihe-na 72.11, 128.19 APE8-dihe-in -58.21, 133.91 APE8-rot-in 298.79 APE67-dihe-in -52.89, -28.0 -40.02, -53.78 APE12-dist-in 12.9386 APE11-dist-in 10.2828 APE10-dist-in 6.9803 APE9-dist-in 3.1279 None TPO160 TPO160 XRAY 2.26 0.183 0.217 A 300.0 298.0 0 28 28 0 [[4, 286]] 1.0 4bcp 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 4BCPC P24941 1 296 298.0 T3C:61297 Type1 Active DFGin 6.4029 15.2626 BLAminus -138.65, 173.95 55.78, 79.54 -94.55, 33.05 285.17, 67.29 -71.14, -20.19 in-in in 8.7962 Saltbr-in 2.6822 HRD-in -80.06, -56.76 72.61, 10.41 in-in-in SNCiii in-in ActLoopNT-in 3.0651 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.86, 153.55 APE9-dihe-na 70.9, 126.48 APE8-dihe-in -52.55, 138.72 APE8-rot-in 308.97 APE67-dihe-in -53.33, -25.64 -40.93, -57.86 APE12-dist-in 12.705 APE11-dist-in 9.8164 APE10-dist-in 6.7355 APE9-dist-in 3.2068 None TPO160 TPO160 XRAY 2.26 0.183 0.217 C 300.0 267.0 29 28 28 0 [[4, 286]] 1.0 4bcp 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 4BCGA P50750 7 327 372.0 T3C:1328 Type1 Inactive DFGin 7.1337 15.2439 BLAminus -132.48, 173.97 58.32, 78.23 -93.26, 24.05 284.24, 75.68 -68.96, -23.34 in-out in 9.462 Saltbr-out 4.6472 HRD-in -78.18, -44.27 68.6, 10.18 out-in-in SNCoii in-in ActLoopNT-in 2.8777 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.1, 147.31 APE9-dihe-na 81.87, 132.15 APE8-dihe-in -51.72, 141.44 APE8-rot-in 291.43 APE67-dihe-in -63.63, -25.74 -50.67, -46.04 APE12-dist-in 13.1093 APE11-dist-in 10.2311 APE10-dist-in 6.9327 APE9-dist-in 3.1792 None TPO186 TPO186 XRAY 3.085 0.163 0.197 A 331.0 313.0 8 32 32 0 [[19, 315]] 1.0 4bcg 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: T3C

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