Ligand: 1QK (Dinaciclib)

Total number of chains: 6
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 50.0% 5L2WA
DFGin BLBminus 1 16.7% 8FOWA
DFGin BLBplus 1 16.7% 6GU6A
None None 1 16.7% 4KD1A
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 CDK1 CDK1_HUMAN 6GU6A P06493 1 291 297.0 1QK:301 Type1 Inactive DFGin 5.8179 12.8571 BLBplus -115.67, 150.99 76.51, 17.55 -62.08, 137.01 54.81, 86.96 80.64, -12.23 out-out out 15.1693 Saltbr-out 15.4198 HRD-in -95.81, -60.19 82.87, -21.8 out-out-out SNCooo out-out ActLoopNT-out 5.8423 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -35.71, -52.39 APE9-dihe-na -41.22, -41.95 APE8-dihe-out -70.0, -31.83 APE8-rot-out 220.63 APE67-dihe-in -68.3, -21.61 -63.79, -23.1 APE12-dist-out 21.0611 APE11-dist-out 15.9029 APE10-dist-out 21.5883 APE9-dist-out 11.9663 None None None XRAY 2.33 0.203 0.246 A 302.0 288.0 3 28 25 3 [[4, 287]] 1.0 6gu6 CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 5L2WA P24941 1 297 298.0 1QK:60900 Type1 Active DFGin 6.8538 15.3093 BLAminus -124.76, 175.22 50.27, 87.67 -98.37, 21.86 279.74, 69.62 -63.43, -34.97 in-in in 8.1371 Saltbr-in 2.8063 HRD-in -75.13, -43.71 59.18, 15.83 in-in-in SNCiii in-in ActLoopNT-in 2.8289 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.49, -41.06 APE9-dihe-na -114.17, 152.38 APE8-dihe-in -52.38, 125.85 APE8-rot-in 308.7 APE67-dihe-in -64.98, -23.56 -37.65, -52.55 APE12-dist-in 13.0722 APE11-dist-in 10.555 APE10-dist-in 7.4573 APE9-dist-in 3.5567 None TPO160 TPO160 XRAY 2.8 0.202 0.246 A 299.0 297.0 0 28 28 0 [[4, 286]] 1.0 5l2w CMGC_CDK2_HUMAN CMGC 6.4e-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 8FOWA P24941 3 298 298.0 1QK:303,7TW:304 Type1,Type3 Inactive DFGin 9.6034 14.6837 BLBminus -142.98, 169.57 62.58, 46.02 -58.43, 140.27 285.17, 73.33 -80.44, 47.06 out-out out 16.7928 Saltbr-out 17.8737 HRD-in -84.61, -56.26 85.39, -14.19 out-out-out SNCooo out-out ActLoopNT-out 9.5386 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -79.82, 130.93 APE9-dihe-na -70.75, 142.04 APE8-dihe-in -94.51, 122.37 APE8-rot-in 301.96 APE67-dihe-in -61.63, -23.3 -100.31, -0.74 APE12-dist-none 999.0 APE11-dist-out 19.4045 APE10-dist-out 20.6218 APE9-dist-out 10.975 None None None XRAY 1.6 0.205 0.221 A 298.0 275.0 21 28 19 9 [[4, 286]] 1.0 8fow CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 4KD1A P24941 1 298 298.0 1QK:302 Type1 Inactive None 11.4317 18.4924 None -103.77, 151.97 77.61, 19.25 -58.19, 138.93 250.92, 90.26 83.97, -15.13 out-out out 16.1883 Saltbr-out 15.4474 HRD-in -91.06, -59.16 81.9, -15.37 out-out-out SNCooo out-out ActLoopNT-out 5.7954 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -78.97, 126.64 APE9-dihe-na -71.76, 135.1 APE8-dihe-in -76.23, 141.92 APE8-rot-out 185.92 APE67-dihe-in -62.18, -24.46 -100.06, -1.99 APE12-dist-out 20.4813 APE11-dist-out 17.7381 APE10-dist-out 19.1523 APE9-dist-out 10.5412 None None None XRAY 1.7 0.194 0.232 A 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 4kd1 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 CDK3 CDK3_HUMAN 8H4RA Q00526 2 288 305.0 1QK:401 Type1 Active DFGin 7.1415 14.8836 BLAminus -134.0, 172.44 62.5, 82.49 -99.54, 22.67 285.02, 66.09 -68.09, -27.36 in-in in 8.2597 Saltbr-in 3.1129 HRD-in -68.89, -47.78 58.39, 26.77 in-in-in SNCiii in-in ActLoopNT-in 3.0076 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.33, 162.64 APE9-dihe-na 80.58, 135.25 APE8-dihe-in -54.21, 137.41 APE8-rot-in 293.27 APE67-dihe-in -59.64, -28.06 -50.78, -46.35 APE12-dist-in 13.2024 APE11-dist-in 12.3613 APE10-dist-in 7.3011 APE9-dist-in 3.3956 None TPO160 TPO160 XRAY 2.75 0.164 0.223 A 533.0 287.0 215 28 0 28 [[4, 286]] 1.0 8h4r CMGC_CDK3_HUMAN CMGC 1.4e-88 303.3 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 3
CMGC CDK7 CDK7_HUMAN 8P78J P50613 10 310 346.0 1QK:60401 Type1 Active DFGin 6.7929 15.1288 BLAminus -125.5, -177.03 58.99, 68.9 -87.31, 18.63 284.93, 69.97 -66.72, -11.37 in-in in 7.8953 Saltbr-in 3.1214 HRD-in -73.67, -52.36 67.02, 10.71 in-in-in SNCiii in-in ActLoopNT-in 2.9054 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.06, 163.93 APE9-dihe-na 68.47, 139.58 APE8-dihe-in -57.78, 143.69 APE8-rot-in 300.23 APE67-dihe-in -60.36, -28.84 -57.18, -42.92 APE12-dist-in 13.3838 APE11-dist-in 11.1657 APE10-dist-in 6.8345 APE9-dist-in 3.2471 None None None EM 1.9 999.0 999.0 J 349.0 286.0 15 28 28 0 [[12, 295]] 1.0 8p78 CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: 1QK (Dinaciclib)

Total number of chains: 6
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 50.0% 5L2WA
DFGin BLBminus 1 16.7% 8FOWA
DFGin BLBplus 1 16.7% 6GU6A
None None 1 16.7% 4KD1A
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 CDK1 CDK1_HUMAN 6GU6A P06493 1 291 297.0 1QK:301 Type1 Inactive DFGin 5.8179 12.8571 BLBplus -115.67, 150.99 76.51, 17.55 -62.08, 137.01 54.81, 86.96 80.64, -12.23 out-out out 15.1693 Saltbr-out 15.4198 HRD-in -95.81, -60.19 82.87, -21.8 out-out-out SNCooo out-out ActLoopNT-out 5.8423 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -35.71, -52.39 APE9-dihe-na -41.22, -41.95 APE8-dihe-out -70.0, -31.83 APE8-rot-out 220.63 APE67-dihe-in -68.3, -21.61 -63.79, -23.1 APE12-dist-out 21.0611 APE11-dist-out 15.9029 APE10-dist-out 21.5883 APE9-dist-out 11.9663 None None None XRAY 2.33 0.203 0.246 A 302.0 288.0 3 28 25 3 [[4, 287]] 1.0 6gu6 Homo sapiens CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1.0 301.0 301.0 145 146 147 149 151 33 51 55 125 127 126 128.0 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 5L2WA P24941 1 297 298.0 1QK:60900 Type1 Active DFGin 6.8538 15.3093 BLAminus -124.76, 175.22 50.27, 87.67 -98.37, 21.86 279.74, 69.62 -63.43, -34.97 in-in in 8.1371 Saltbr-in 2.8063 HRD-in -75.13, -43.71 59.18, 15.83 in-in-in SNCiii in-in ActLoopNT-in 2.8289 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.49, -41.06 APE9-dihe-na -114.17, 152.38 APE8-dihe-in -52.38, 125.85 APE8-rot-in 308.7 APE67-dihe-in -64.98, -23.56 -37.65, -52.55 APE12-dist-in 13.0722 APE11-dist-in 10.555 APE10-dist-in 7.4573 APE9-dist-in 3.5567 None TPO160 TPO160 XRAY 2.8 0.202 0.246 A 299.0 297.0 0 28 28 0 [[4, 286]] 1.0 5l2w Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-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 8FOWA P24941 3 298 298.0 1QK:303,7TW:304 Type1,Type3 Inactive DFGin 9.6034 14.6837 BLBminus -142.98, 169.57 62.58, 46.02 -58.43, 140.27 285.17, 73.33 -80.44, 47.06 out-out out 16.7928 Saltbr-out 17.8737 HRD-in -84.61, -56.26 85.39, -14.19 out-out-out SNCooo out-out ActLoopNT-out 9.5386 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -79.82, 130.93 APE9-dihe-na -70.75, 142.04 APE8-dihe-in -94.51, 122.37 APE8-rot-in 301.96 APE67-dihe-in -61.63, -23.3 -100.31, -0.74 APE12-dist-none 999.0 APE11-dist-out 19.4045 APE10-dist-out 20.6218 APE9-dist-out 10.975 None None None XRAY 1.6 0.205 0.221 A 298.0 275.0 21 28 19 9 [[4, 286]] 1.0 8fow Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 4KD1A P24941 1 298 298.0 1QK:302 Type1 Inactive None 11.4317 18.4924 None -103.77, 151.97 77.61, 19.25 -58.19, 138.93 250.92, 90.26 83.97, -15.13 out-out out 16.1883 Saltbr-out 15.4474 HRD-in -91.06, -59.16 81.9, -15.37 out-out-out SNCooo out-out ActLoopNT-out 5.7954 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -78.97, 126.64 APE9-dihe-na -71.76, 135.1 APE8-dihe-in -76.23, 141.92 APE8-rot-out 185.92 APE67-dihe-in -62.18, -24.46 -100.06, -1.99 APE12-dist-out 20.4813 APE11-dist-out 17.7381 APE10-dist-out 19.1523 APE9-dist-out 10.5412 None None None XRAY 1.7 0.194 0.232 A 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 4kd1 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 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 CDK3 CDK3_HUMAN 8H4RA Q00526 2 288 305.0 1QK:401 Type1 Active DFGin 7.1415 14.8836 BLAminus -134.0, 172.44 62.5, 82.49 -99.54, 22.67 285.02, 66.09 -68.09, -27.36 in-in in 8.2597 Saltbr-in 3.1129 HRD-in -68.89, -47.78 58.39, 26.77 in-in-in SNCiii in-in ActLoopNT-in 3.0076 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -106.33, 162.64 APE9-dihe-na 80.58, 135.25 APE8-dihe-in -54.21, 137.41 APE8-rot-in 293.27 APE67-dihe-in -59.64, -28.06 -50.78, -46.35 APE12-dist-in 13.2024 APE11-dist-in 12.3613 APE10-dist-in 7.3011 APE9-dist-in 3.3956 None TPO160 TPO160 XRAY 2.75 0.164 0.223 A 533.0 287.0 215 28 0 28 [[4, 286]] 1.0 8h4r Homo sapiens CMGC_CDK3_HUMAN CMGC 1.4e-88 303.3 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 3
CMGC CDK7 CDK7_HUMAN 8P78J P50613 10 310 346.0 1QK:60401 Type1 Active DFGin 6.7929 15.1288 BLAminus -125.5, -177.03 58.99, 68.9 -87.31, 18.63 284.93, 69.97 -66.72, -11.37 in-in in 7.8953 Saltbr-in 3.1214 HRD-in -73.67, -52.36 67.02, 10.71 in-in-in SNCiii in-in ActLoopNT-in 2.9054 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.06, 163.93 APE9-dihe-na 68.47, 139.58 APE8-dihe-in -57.78, 143.69 APE8-rot-in 300.23 APE67-dihe-in -60.36, -28.84 -57.18, -42.92 APE12-dist-in 13.3838 APE11-dist-in 11.1657 APE10-dist-in 6.8345 APE9-dist-in 3.2471 None None None EM 1.9 999.0 999.0 J 349.0 286.0 15 28 28 0 [[12, 295]] 1.0 8p78 Homo sapiens CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1.0 301.0 301.0 154 155 156 158 160 41 62 66 134 136 135 137.0 195 182 177 176 175 174 173 172 171 92 Cyclin-dependent kinase 7

Ligand: 1QK (Dinaciclib)

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