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 - 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 5.818 12.857 BLBplus -115.67, 150.99 76.51, 17.55 -62.08, 137.01 54.81, 86.96 80.64, -12.23 out-out out 15.169 Saltbr-out 15.42 HRD-in -95.81, -60.19 82.87, -21.8 out-out-out SNCooo out-out ActLoopNT-out 5.842 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 21.061 APE11-dist-out 15.903 APE10-dist-out 21.588 APE9-dist-out 11.966 None None None XRAY 2.33 0.203 0.246 A 302 288 3 0 0 3 [[4, 287]] 1.0 6gu6 CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1 301 301 145 146 147 149 151 33 51 55 125 127 126 128 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 5L2WA P24941 1 297 298.0 1QK:60900 Type1 Active DFGin 6.854 15.309 BLAminus -124.76, 175.22 50.27, 87.67 -98.37, 21.86 279.74, 69.62 -63.43, -34.97 in-in in 8.137 Saltbr-in 2.806 HRD-in -75.13, -43.71 59.18, 15.83 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 13.072 APE11-dist-in 10.555 APE10-dist-in 7.457 APE9-dist-in 3.557 None TPO160 TPO160 XRAY 2.8 0.202 0.246 A 299 297 0 0 0 0 [[4, 286]] 1.0 5l2w CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 8FOWA P24941 3 298 298.0 1QK:303,7TW:304 Type1,Type3 Inactive DFGin 9.603 14.684 BLBminus -142.98, 169.57 62.58, 46.02 -58.43, 140.27 285.17, 73.33 -80.44, 47.06 out-out out 16.793 Saltbr-out 17.874 HRD-in -84.61, -56.26 85.39, -14.19 out-out-out SNCooo out-out ActLoopNT-out 9.539 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 19.404 APE10-dist-out 20.622 APE9-dist-out 10.975 None None None XRAY 1.6 0.205 0.221 A 298 275 21 0 0 9 [[4, 286]] 1.0 8fow CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4KD1A P24941 1 298 298.0 1QK:302 Type1 Inactive None 11.432 18.492 None -103.77, 151.97 77.61, 19.25 -58.19, 138.93 250.92, 90.26 83.97, -15.13 out-out out 16.188 Saltbr-out 15.447 HRD-in -91.06, -59.16 81.9, -15.37 out-out-out SNCooo out-out ActLoopNT-out 5.795 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 20.481 APE11-dist-out 17.738 APE10-dist-out 19.152 APE9-dist-out 10.541 None None None XRAY 1.7 0.194 0.232 A 298 298 0 0 0 0 [[4, 286]] 1.0 4kd1 CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK3 CDK3_HUMAN 8H4RA Q00526 2 288 305.0 1QK:401 Type1 Active DFGin 7.141 14.884 BLAminus -134.0, 172.44 62.5, 82.49 -99.54, 22.67 285.02, 66.09 -68.09, -27.36 in-in in 8.26 Saltbr-in 3.113 HRD-in -68.89, -47.78 58.39, 26.77 in-in-in SNCiii in-in ActLoopNT-in 3.008 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 13.202 APE11-dist-in 12.361 APE10-dist-in 7.301 APE9-dist-in 3.396 None TPO160 TPO160 XRAY 2.75 0.164 0.223 A 533 287 215 0 0 28 [[4, 286]] 1.0 8h4r CMGC_CDK3_HUMAN CMGC 1.4e-88 303.3 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 3
CMGC CDK7 CDK7_HUMAN 8P78J P50613 10 310 346.0 1QK:60401 Type1 Active DFGin 6.793 15.129 BLAminus -125.5, -177.03 58.99, 68.9 -87.31, 18.63 284.93, 69.97 -66.72, -11.37 in-in in 7.895 Saltbr-in 3.121 HRD-in -73.67, -52.36 67.02, 10.71 in-in-in SNCiii in-in ActLoopNT-in 2.905 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 13.384 APE11-dist-in 11.166 APE10-dist-in 6.835 APE9-dist-in 3.247 None None None EM 1.9 999.0 999.0 J 349 286 15 0 0 0 [[12, 295]] 1.0 8p78 CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1 301 301 154 155 156 158 160 41 62 66 134 136 135 137 195 182 177 176 175 174 173 172 171 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 - 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 5.818 12.857 BLBplus -115.67, 150.99 76.51, 17.55 -62.08, 137.01 54.81, 86.96 80.64, -12.23 out-out out 15.169 Saltbr-out 15.42 HRD-in -95.81, -60.19 82.87, -21.8 out-out-out SNCooo out-out ActLoopNT-out 5.842 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 21.061 APE11-dist-out 15.903 APE10-dist-out 21.588 APE9-dist-out 11.966 None None None XRAY 2.33 0.203 0.246 A 302 288 3 0 0 3 [[4, 287]] 1.0 6gu6 Homo sapiens CMGC_CDK1_HUMAN CMGC 2.7e-87 298.9 1 301 301 145 146 147 149 151 33 51 55 125 127 126 128 186 173 168 167 166 165 164 163 162 81 Cyclin-dependent kinase 1
CMGC CDK2 CDK2_HUMAN 5L2WA P24941 1 297 298.0 1QK:60900 Type1 Active DFGin 6.854 15.309 BLAminus -124.76, 175.22 50.27, 87.67 -98.37, 21.86 279.74, 69.62 -63.43, -34.97 in-in in 8.137 Saltbr-in 2.806 HRD-in -75.13, -43.71 59.18, 15.83 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 13.072 APE11-dist-in 10.555 APE10-dist-in 7.457 APE9-dist-in 3.557 None TPO160 TPO160 XRAY 2.8 0.202 0.246 A 299 297 0 0 0 0 [[4, 286]] 1.0 5l2w Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 8FOWA P24941 3 298 298.0 1QK:303,7TW:304 Type1,Type3 Inactive DFGin 9.603 14.684 BLBminus -142.98, 169.57 62.58, 46.02 -58.43, 140.27 285.17, 73.33 -80.44, 47.06 out-out out 16.793 Saltbr-out 17.874 HRD-in -84.61, -56.26 85.39, -14.19 out-out-out SNCooo out-out ActLoopNT-out 9.539 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 19.404 APE10-dist-out 20.622 APE9-dist-out 10.975 None None None XRAY 1.6 0.205 0.221 A 298 275 21 0 0 9 [[4, 286]] 1.0 8fow Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 4KD1A P24941 1 298 298.0 1QK:302 Type1 Inactive None 11.432 18.492 None -103.77, 151.97 77.61, 19.25 -58.19, 138.93 250.92, 90.26 83.97, -15.13 out-out out 16.188 Saltbr-out 15.447 HRD-in -91.06, -59.16 81.9, -15.37 out-out-out SNCooo out-out ActLoopNT-out 5.795 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 20.481 APE11-dist-out 17.738 APE10-dist-out 19.152 APE9-dist-out 10.541 None None None XRAY 1.7 0.194 0.232 A 298 298 0 0 0 0 [[4, 286]] 1.0 4kd1 Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK3 CDK3_HUMAN 8H4RA Q00526 2 288 305.0 1QK:401 Type1 Active DFGin 7.141 14.884 BLAminus -134.0, 172.44 62.5, 82.49 -99.54, 22.67 285.02, 66.09 -68.09, -27.36 in-in in 8.26 Saltbr-in 3.113 HRD-in -68.89, -47.78 58.39, 26.77 in-in-in SNCiii in-in ActLoopNT-in 3.008 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 13.202 APE11-dist-in 12.361 APE10-dist-in 7.301 APE9-dist-in 3.396 None TPO160 TPO160 XRAY 2.75 0.164 0.223 A 533 287 215 0 0 28 [[4, 286]] 1.0 8h4r Homo sapiens CMGC_CDK3_HUMAN CMGC 1.4e-88 303.3 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 3
CMGC CDK7 CDK7_HUMAN 8P78J P50613 10 310 346.0 1QK:60401 Type1 Active DFGin 6.793 15.129 BLAminus -125.5, -177.03 58.99, 68.9 -87.31, 18.63 284.93, 69.97 -66.72, -11.37 in-in in 7.895 Saltbr-in 3.121 HRD-in -73.67, -52.36 67.02, 10.71 in-in-in SNCiii in-in ActLoopNT-in 2.905 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 13.384 APE11-dist-in 11.166 APE10-dist-in 6.835 APE9-dist-in 3.247 None None None EM 1.9 999.0 999.0 J 349 286 15 0 0 0 [[12, 295]] 1.0 8p78 Homo sapiens CMGC_CDK7_HUMAN CMGC 1.6e-78 271.7 1 301 301 154 155 156 158 160 41 62 66 134 136 135 137 195 182 177 176 175 174 173 172 171 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 - 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