Ligand: F18

Total number of chains: 5
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 3TNWC
DFGin BLBtrans 1 20.0% 2CLXA
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 3TNWA P24941 1 298 298.0 F18:60299 Type1 Active DFGin 6.6202 15.0856 BLAminus -128.6, -178.26 47.86, 84.33 -97.78, 26.02 281.36, 66.37 -65.04, -21.33 in-in in 8.6174 Saltbr-in 2.6016 HRD-in -79.46, -53.41 71.4, 11.35 in-in-in SNCiii in-in ActLoopNT-in 2.8879 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.78, 148.35 APE9-dihe-na 78.36, 126.94 APE8-dihe-in -51.14, 135.98 APE8-rot-in 295.07 APE67-dihe-in -59.03, -26.11 -51.18, -45.17 APE12-dist-in 13.0257 APE11-dist-in 10.0124 APE10-dist-in 7.1954 APE9-dist-in 3.2048 None TPO160 TPO160 XRAY 2.0 0.188 0.227 A 300.0 295.0 3 28 28 0 [[4, 286]] 1.0 3tnw 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 3TNWC P24941 1 294 298.0 F18:60299 Type1 Active DFGin 6.3379 14.9648 BLAminus -134.92, -174.37 47.62, 80.87 -94.48, 22.71 276.99, 67.55 -61.56, -28.66 in-in in 8.6777 Saltbr-in 2.9532 HRD-in -84.06, -55.0 67.89, 14.76 in-in-in SNCiii in-in ActLoopNT-in 2.7943 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.7, 153.65 APE9-dihe-na 73.74, 131.99 APE8-dihe-in -62.58, 141.03 APE8-rot-in 293.51 APE67-dihe-in -61.78, -24.49 -48.04, -49.75 APE12-dist-in 12.9552 APE11-dist-in 10.0715 APE10-dist-in 6.9873 APE9-dist-in 3.2432 None TPO160 TPO160 XRAY 2.0 0.188 0.227 C 300.0 292.0 2 28 28 0 [[4, 286]] 1.0 3tnw 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 2CLXA P24941 1 298 298.0 F18:1299 Type1 Inactive DFGin 10.5881 18.2326 BLBtrans -102.39, 162.05 57.48, 23.46 -58.08, 132.34 226.08, 105.77 84.3, -12.61 out-out out 15.0033 Saltbr-out 16.1152 HRD-in -80.79, -59.4 83.97, -11.26 out-out-out SNCooo out-out ActLoopNT-out 5.8902 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -83.03, 139.33 APE9-dihe-na -72.69, 129.82 APE8-dihe-in -70.52, 142.86 APE8-rot-out 190.27 APE67-dihe-in -60.8, -23.74 -103.33, -5.09 APE12-dist-out 19.7916 APE11-dist-out 17.5543 APE10-dist-out 18.5625 APE9-dist-out 10.4338 None None None XRAY 1.8 0.18 0.231 A 298.0 293.0 5 28 28 0 [[4, 286]] 1.0 2clx 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 CDK9 CDK9_HUMAN 3TN8A P50750 8 325 372.0 F18:332 Type1 Active DFGin 6.9278 14.7581 BLAminus -143.85, 178.49 57.5, 79.87 -95.98, 37.06 283.24, 76.06 -66.12, -47.35 in-in in 8.8749 Saltbr-in 3.0787 HRD-in -75.16, -50.1 67.86, 4.01 in-in-in SNCiii in-in ActLoopNT-in 2.7428 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.91, 161.16 APE9-dihe-na 76.41, 125.51 APE8-dihe-in -47.81, 145.62 APE8-rot-in 301.4 APE67-dihe-in -65.71, -32.31 -55.05, -44.31 APE12-dist-in 12.8627 APE11-dist-in 10.1967 APE10-dist-in 6.7042 APE9-dist-in 3.1972 None TPO186 TPO186 XRAY 2.95 0.179 0.221 A 331.0 305.0 13 32 28 4 [[19, 315]] 1.0 3tn8 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
CMGC CDK9 CDK9_HUMAN 3TNHA P50750 8 328 372.0 F18:400 Type1 Active DFGin 6.8947 14.8628 BLAminus -133.46, 172.31 64.77, 76.91 -97.39, 20.03 283.08, 80.82 -68.17, -17.73 in-in in 9.0653 Saltbr-in 3.3429 HRD-in -75.15, -45.06 69.35, 5.53 in-in-in SNCiii in-in ActLoopNT-in 2.7866 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.95, 145.17 APE9-dihe-na 82.57, 129.21 APE8-dihe-in -52.21, 142.64 APE8-rot-in 282.87 APE67-dihe-in -68.26, -22.31 -48.58, -47.58 APE12-dist-in 12.8501 APE11-dist-in 9.7031 APE10-dist-in 6.8665 APE9-dist-in 3.1983 None TPO186 TPO186 XRAY 3.202 0.179 0.226 A 331.0 289.0 32 32 25 7 [[19, 315]] 1.0 3tnh 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: F18

Total number of chains: 5
Active chains: 4
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 3TNWC
DFGin BLBtrans 1 20.0% 2CLXA
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 3TNWA P24941 1 298 298.0 F18:60299 Type1 Active DFGin 6.6202 15.0856 BLAminus -128.6, -178.26 47.86, 84.33 -97.78, 26.02 281.36, 66.37 -65.04, -21.33 in-in in 8.6174 Saltbr-in 2.6016 HRD-in -79.46, -53.41 71.4, 11.35 in-in-in SNCiii in-in ActLoopNT-in 2.8879 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.78, 148.35 APE9-dihe-na 78.36, 126.94 APE8-dihe-in -51.14, 135.98 APE8-rot-in 295.07 APE67-dihe-in -59.03, -26.11 -51.18, -45.17 APE12-dist-in 13.0257 APE11-dist-in 10.0124 APE10-dist-in 7.1954 APE9-dist-in 3.2048 None TPO160 TPO160 XRAY 2.0 0.188 0.227 A 300.0 295.0 3 28 28 0 [[4, 286]] 1.0 3tnw 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 3TNWC P24941 1 294 298.0 F18:60299 Type1 Active DFGin 6.3379 14.9648 BLAminus -134.92, -174.37 47.62, 80.87 -94.48, 22.71 276.99, 67.55 -61.56, -28.66 in-in in 8.6777 Saltbr-in 2.9532 HRD-in -84.06, -55.0 67.89, 14.76 in-in-in SNCiii in-in ActLoopNT-in 2.7943 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.7, 153.65 APE9-dihe-na 73.74, 131.99 APE8-dihe-in -62.58, 141.03 APE8-rot-in 293.51 APE67-dihe-in -61.78, -24.49 -48.04, -49.75 APE12-dist-in 12.9552 APE11-dist-in 10.0715 APE10-dist-in 6.9873 APE9-dist-in 3.2432 None TPO160 TPO160 XRAY 2.0 0.188 0.227 C 300.0 292.0 2 28 28 0 [[4, 286]] 1.0 3tnw 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 2CLXA P24941 1 298 298.0 F18:1299 Type1 Inactive DFGin 10.5881 18.2326 BLBtrans -102.39, 162.05 57.48, 23.46 -58.08, 132.34 226.08, 105.77 84.3, -12.61 out-out out 15.0033 Saltbr-out 16.1152 HRD-in -80.79, -59.4 83.97, -11.26 out-out-out SNCooo out-out ActLoopNT-out 5.8902 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -83.03, 139.33 APE9-dihe-na -72.69, 129.82 APE8-dihe-in -70.52, 142.86 APE8-rot-out 190.27 APE67-dihe-in -60.8, -23.74 -103.33, -5.09 APE12-dist-out 19.7916 APE11-dist-out 17.5543 APE10-dist-out 18.5625 APE9-dist-out 10.4338 None None None XRAY 1.8 0.18 0.231 A 298.0 293.0 5 28 28 0 [[4, 286]] 1.0 2clx 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 CDK9 CDK9_HUMAN 3TN8A P50750 8 325 372.0 F18:332 Type1 Active DFGin 6.9278 14.7581 BLAminus -143.85, 178.49 57.5, 79.87 -95.98, 37.06 283.24, 76.06 -66.12, -47.35 in-in in 8.8749 Saltbr-in 3.0787 HRD-in -75.16, -50.1 67.86, 4.01 in-in-in SNCiii in-in ActLoopNT-in 2.7428 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -105.91, 161.16 APE9-dihe-na 76.41, 125.51 APE8-dihe-in -47.81, 145.62 APE8-rot-in 301.4 APE67-dihe-in -65.71, -32.31 -55.05, -44.31 APE12-dist-in 12.8627 APE11-dist-in 10.1967 APE10-dist-in 6.7042 APE9-dist-in 3.1972 None TPO186 TPO186 XRAY 2.95 0.179 0.221 A 331.0 305.0 13 32 28 4 [[19, 315]] 1.0 3tn8 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
CMGC CDK9 CDK9_HUMAN 3TNHA P50750 8 328 372.0 F18:400 Type1 Active DFGin 6.8947 14.8628 BLAminus -133.46, 172.31 64.77, 76.91 -97.39, 20.03 283.08, 80.82 -68.17, -17.73 in-in in 9.0653 Saltbr-in 3.3429 HRD-in -75.15, -45.06 69.35, 5.53 in-in-in SNCiii in-in ActLoopNT-in 2.7866 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.95, 145.17 APE9-dihe-na 82.57, 129.21 APE8-dihe-in -52.21, 142.64 APE8-rot-in 282.87 APE67-dihe-in -68.26, -22.31 -48.58, -47.58 APE12-dist-in 12.8501 APE11-dist-in 9.7031 APE10-dist-in 6.8665 APE9-dist-in 3.1983 None TPO186 TPO186 XRAY 3.202 0.179 0.226 A 331.0 289.0 32 32 25 7 [[19, 315]] 1.0 3tnh 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: F18

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