Ligand: FB8

Total number of chains: 5
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 6GU3A
DFGin BLBminus 1 20.0% 6GUHA
DFGin BLBplus 1 20.0% 6GU7A
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 6GU3A P06493 1 289 297.0 FB8:60301 Type1 Inactive DFGin 7.805 14.5637 BLAminus -137.1, 171.09 59.16, 81.74 -96.09, 28.76 285.57, 87.37 -72.84, -16.51 in-in in 9.2876 Saltbr-in 2.9837 HRD-in -71.79, -50.16 75.69, -26.28 in-in-out SNCiio in-out ActLoopNT-in 2.7446 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -37.38, 127.7 APE9-dihe-na -55.03, -59.68 APE8-dihe-in -126.82, 132.63 APE8-rot-out 194.13 APE67-dihe-in -59.08, -25.94 -104.13, -9.36 APE12-dist-in 13.8469 APE11-dist-in 11.5036 APE10-dist-out 8.776 APE9-dist-out 10.4651 None None None XRAY 2.65 0.198 0.258 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 6gu3 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 CDK1 CDK1_HUMAN 6GU7A P06493 1 293 297.0 FB8:301 Type1 Inactive DFGin 5.8755 13.1483 BLBplus -108.21, 158.14 67.09, 8.94 -46.0, 137.07 56.26, 84.07 59.09, 0.25 out-out out 14.9528 Saltbr-out 14.2323 HRD-in -80.12, -60.39 82.56, -20.14 out-out-out SNCooo out-out ActLoopNT-out 6.159 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -32.1 APE8-dihe-out -48.11, -44.27 APE8-rot-out 166.99 APE67-dihe-in -63.08, -28.41 -69.08, -32.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.0896 None None None XRAY 2.75 0.229 0.274 A 302.0 284.0 9 28 19 9 [[4, 287]] 1.0 6gu7 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 6GUEC P24941 1 296 298.0 FB8:60301 Type1 Active DFGin 6.6467 15.5091 BLAminus -137.19, 176.14 51.03, 83.04 -90.71, 17.34 281.18, 72.33 -60.74, -26.78 in-in in 8.7377 Saltbr-in 2.644 HRD-in -81.44, -55.33 72.3, 12.6 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -85.0, 169.8 APE9-dihe-na 75.79, 127.44 APE8-dihe-in -45.53, 131.47 APE8-rot-in 302.03 APE67-dihe-in -60.29, -20.12 -46.05, -47.88 APE12-dist-in 13.231 APE11-dist-in 12.4265 APE10-dist-in 7.227 APE9-dist-in 3.3267 None TPO160 TPO160 XRAY 1.99 0.198 0.234 C 302.0 288.0 8 28 28 0 [[4, 286]] 1.0 6gue CMGC_CDK2_HUMAN CMGC 6.7e-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 6GUEA P24941 1 298 298.0 FB8:60301 Type1 Active DFGin 6.7544 15.4963 BLAminus -136.13, 174.07 55.03, 81.74 -90.85, 16.49 281.66, 71.64 -57.24, -30.62 in-in in 8.7881 Saltbr-in 2.4032 HRD-in -77.82, -55.96 73.4, 10.98 in-in-in SNCiii in-in ActLoopNT-in 2.9583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -97.32, 165.89 APE9-dihe-na 84.86, 131.41 APE8-dihe-in -49.42, 131.75 APE8-rot-in 295.4 APE67-dihe-in -60.88, -20.37 -49.88, -45.18 APE12-dist-in 13.3361 APE11-dist-in 12.5698 APE10-dist-in 7.5561 APE9-dist-in 3.2054 None TPO160 TPO160 XRAY 1.99 0.198 0.234 A 302.0 293.0 5 28 28 0 [[4, 286]] 1.0 6gue CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 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 6GUHA P24941 1 298 298.0 FB8:60301 Type1 Inactive DFGin 8.6941 15.8087 BLBminus -120.04, 173.52 62.61, 46.47 -54.07, 136.17 282.54, 69.51 -112.2, 71.47 out-out out 15.4642 Saltbr-out 12.0835 HRD-in -84.89, -57.05 82.23, -6.91 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -74.39, 131.44 APE9-dihe-na -74.39, 131.26 APE8-dihe-in -71.45, 137.64 APE8-rot-out 183.41 APE67-dihe-in -63.46, -27.01 -101.58, -1.17 APE12-dist-out 19.9563 APE11-dist-out 18.0419 APE10-dist-out 18.1121 APE9-dist-out 10.2628 None None None XRAY 1.5 0.201 0.243 A 306.0 282.0 16 28 20 8 [[4, 286]] 1.0 6guh CMGC_CDK2_HUMAN CMGC 7e-90 307.7 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

Ligand: FB8

Total number of chains: 6
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 6GU3A
DFGin BLBminus 1 16.7% 6GUHA
DFGin BLBplus 1 16.7% 6GU7A
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 6GU3A P06493 1 289 297.0 FB8:60301 Type1 Inactive DFGin 7.805 14.5637 BLAminus -137.1, 171.09 59.16, 81.74 -96.09, 28.76 285.57, 87.37 -72.84, -16.51 in-in in 9.2876 Saltbr-in 2.9837 HRD-in -71.79, -50.16 75.69, -26.28 in-in-out SNCiio in-out ActLoopNT-in 2.7446 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -37.38, 127.7 APE9-dihe-na -55.03, -59.68 APE8-dihe-in -126.82, 132.63 APE8-rot-out 194.13 APE67-dihe-in -59.08, -25.94 -104.13, -9.36 APE12-dist-in 13.8469 APE11-dist-in 11.5036 APE10-dist-out 8.776 APE9-dist-out 10.4651 None None None XRAY 2.65 0.198 0.258 A 302.0 289.0 0 28 28 0 [[4, 287]] 1.0 6gu3 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 CDK1 CDK1_HUMAN 6GU7A P06493 1 293 297.0 FB8:301 Type1 Inactive DFGin 5.8755 13.1483 BLBplus -108.21, 158.14 67.09, 8.94 -46.0, 137.07 56.26, 84.07 59.09, 0.25 out-out out 14.9528 Saltbr-out 14.2323 HRD-in -80.12, -60.39 82.56, -20.14 out-out-out SNCooo out-out ActLoopNT-out 6.159 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -32.1 APE8-dihe-out -48.11, -44.27 APE8-rot-out 166.99 APE67-dihe-in -63.08, -28.41 -69.08, -32.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.0896 None None None XRAY 2.75 0.229 0.274 A 302.0 284.0 9 28 19 9 [[4, 287]] 1.0 6gu7 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 6GUEC P24941 1 296 298.0 FB8:60301 Type1 Active DFGin 6.6467 15.5091 BLAminus -137.19, 176.14 51.03, 83.04 -90.71, 17.34 281.18, 72.33 -60.74, -26.78 in-in in 8.7377 Saltbr-in 2.644 HRD-in -81.44, -55.33 72.3, 12.6 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -85.0, 169.8 APE9-dihe-na 75.79, 127.44 APE8-dihe-in -45.53, 131.47 APE8-rot-in 302.03 APE67-dihe-in -60.29, -20.12 -46.05, -47.88 APE12-dist-in 13.231 APE11-dist-in 12.4265 APE10-dist-in 7.227 APE9-dist-in 3.3267 None TPO160 TPO160 XRAY 1.99 0.198 0.234 C 302.0 288.0 8 28 28 0 [[4, 286]] 1.0 6gue Homo sapiens CMGC_CDK2_HUMAN CMGC 6.7e-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 6GUEA P24941 1 298 298.0 FB8:60301 Type1 Active DFGin 6.7544 15.4963 BLAminus -136.13, 174.07 55.03, 81.74 -90.85, 16.49 281.66, 71.64 -57.24, -30.62 in-in in 8.7881 Saltbr-in 2.4032 HRD-in -77.82, -55.96 73.4, 10.98 in-in-in SNCiii in-in ActLoopNT-in 2.9583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -97.32, 165.89 APE9-dihe-na 84.86, 131.41 APE8-dihe-in -49.42, 131.75 APE8-rot-in 295.4 APE67-dihe-in -60.88, -20.37 -49.88, -45.18 APE12-dist-in 13.3361 APE11-dist-in 12.5698 APE10-dist-in 7.5561 APE9-dist-in 3.2054 None TPO160 TPO160 XRAY 1.99 0.198 0.234 A 302.0 293.0 5 28 28 0 [[4, 286]] 1.0 6gue Homo sapiens CMGC_CDK2_HUMAN CMGC 6.9e-90 307.7 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 6GUHA P24941 1 298 298.0 FB8:60301 Type1 Inactive DFGin 8.6941 15.8087 BLBminus -120.04, 173.52 62.61, 46.47 -54.07, 136.17 282.54, 69.51 -112.2, 71.47 out-out out 15.4642 Saltbr-out 12.0835 HRD-in -84.89, -57.05 82.23, -6.91 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -74.39, 131.44 APE9-dihe-na -74.39, 131.26 APE8-dihe-in -71.45, 137.64 APE8-rot-out 183.41 APE67-dihe-in -63.46, -27.01 -101.58, -1.17 APE12-dist-out 19.9563 APE11-dist-out 18.0419 APE10-dist-out 18.1121 APE9-dist-out 10.2628 None None None XRAY 1.5 0.201 0.243 A 306.0 282.0 16 28 20 8 [[4, 286]] 1.0 6guh Homo sapiens CMGC_CDK2_HUMAN CMGC 7e-90 307.7 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 GSK3 A4HXQ3_LEIIN 7S6UA A4HXQ3 1 353 355.0 FB8:401 Type1 Inactive DFGin 6.761 14.0145 BLAminus -139.61, -164.97 65.25, 65.69 -95.51, 21.7 299.47, 94.31 -60.21, -32.44 in-in in 8.3294 Saltbr-in 2.8017 HRD-in -70.31, -44.47 65.55, 8.87 in-in-out SNCiio in-out ActLoopNT-in 2.9425 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.0, 166.74 APE9-dihe-na 84.7, 154.19 APE8-dihe-in -74.92, 140.06 APE8-rot-out 204.39 APE67-dihe-in -68.68, -21.33 -49.76, -38.05 APE12-dist-in 13.0724 APE11-dist-in 11.5969 APE10-dist-in 6.3641 APE9-dist-in 3.3114 None PTR186 PTR186 XRAY 1.74 0.175 0.2 A 356.0 351.0 2 27 27 0 [[20, 313]] 1.0 7s6u Leishmania infantum CMGC_GSK3_LEIIN CMGC 2.1e-63 220.5 1.0 301.0 301.0 169 170 171 173 175 49 61 65 148 150 149 151.0 209 196 191 190 189 188 187 186 185 101 Glycogen synthase kinase 3

Ligand: FB8

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 7S6UA
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 GSK3 A4HXQ3_LEIIN 7S6UA A4HXQ3 1 353 355.0 FB8:401 Type1 Inactive DFGin 6.761 14.0145 BLAminus -139.61, -164.97 65.25, 65.69 -95.51, 21.7 299.47, 94.31 -60.21, -32.44 in-in in 8.3294 Saltbr-in 2.8017 HRD-in -70.31, -44.47 65.55, 8.87 in-in-out SNCiio in-out ActLoopNT-in 2.9425 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -119.0, 166.74 APE9-dihe-na 84.7, 154.19 APE8-dihe-in -74.92, 140.06 APE8-rot-out 204.39 APE67-dihe-in -68.68, -21.33 -49.76, -38.05 APE12-dist-in 13.0724 APE11-dist-in 11.5969 APE10-dist-in 6.3641 APE9-dist-in 3.3114 None PTR186 PTR186 XRAY 1.74 0.175 0.2 A 356.0 351.0 2 27 27 0 [[20, 313]] 1.0 7s6u Leishmania infantum CMGC_GSK3_LEIIN CMGC 2.1e-63 220.5 1.0 301.0 301.0 169 170 171 173 175 49 61 65 148 150 149 151.0 209 196 191 190 189 188 187 186 185 101 Glycogen synthase kinase 3