Ligand: A1IFO

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9FR6A
DFGin None 1 33.3% 9FUFA
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 DYRK1A DYR1A_HUMAN 9FUFA Q13627 134 480 763.0 A1IFO:501 Type1 Inactive DFGin 7.6694 15.7431 None -124.23, -170.08 74.82, -105.33 66.79, 7.03 297.99, 97.28 -82.54, -3.73 in-in in 9.004 Saltbr-in 3.0075 HRD-in -63.73, -39.36 69.07, 9.77 in-out-out SNCioo out-out ActLoopNT-out 4.1118 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -112.16, 171.47 APE9-dihe-na 67.5, 156.88 APE8-dihe-in -71.53, 145.53 APE8-rot-out 186.89 APE67-dihe-in -63.53, -27.94 -60.87, -45.06 APE12-dist-in 11.1936 APE11-dist-in 11.939 APE10-dist-in 7.9049 APE9-dist-in 3.3087 None PTR321 PTR321 XRAY 2.7 0.21 0.232 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9fuf CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 9FR6A P49841 25 385 420.0 A1IFO:501 Type1 Active DFGin 7.0735 14.1612 BLAminus -136.83, -174.79 60.55, 80.3 -97.86, 24.81 287.57, 77.74 -66.69, -16.26 in-in in 8.5559 Saltbr-in 2.9354 HRD-in -72.59, -48.06 71.15, 12.43 in-in-in SNCiii in-in ActLoopNT-in 2.9919 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -82.91, 171.88 APE9-dihe-na 74.24, 144.89 APE8-dihe-in -96.08, 152.09 APE8-rot-in 291.49 APE67-dihe-inflip 90.67, -36.1 -52.14, 144.18 APE12-dist-in 13.0224 APE11-dist-in 11.047 APE10-dist-in 6.1241 APE9-dist-in 3.2396 None None None XRAY 2.3 0.2 0.232 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr6 CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 9FR6B P49841 36 382 420.0 A1IFO:501 Type1 Active DFGin 7.1281 14.3598 BLAminus -139.12, -179.31 63.06, 81.93 -99.98, 26.01 286.75, 75.51 -71.16, -14.75 in-in in 8.8431 Saltbr-in 2.8359 HRD-in -72.29, -48.89 71.91, 12.0 in-in-in SNCiii in-in ActLoopNT-in 2.9172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -85.4, 172.1 APE9-dihe-na 77.09, 144.87 APE8-dihe-in -98.08, 154.15 APE8-rot-in 291.27 APE67-dihe-inflip 90.37, -33.63 -52.57, 140.86 APE12-dist-in 13.0706 APE11-dist-in 10.9572 APE10-dist-in 5.9828 APE9-dist-in 3.2201 None None None XRAY 2.3 0.2 0.232 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr6 CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta

Ligand: A1IFO

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9FR6A
DFGin None 1 33.3% 9FUFA
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 DYRK1A DYR1A_HUMAN 9FUFA Q13627 134 480 763.0 A1IFO:501 Type1 Inactive DFGin 7.6694 15.7431 None -124.23, -170.08 74.82, -105.33 66.79, 7.03 297.99, 97.28 -82.54, -3.73 in-in in 9.004 Saltbr-in 3.0075 HRD-in -63.73, -39.36 69.07, 9.77 in-out-out SNCioo out-out ActLoopNT-out 4.1118 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -112.16, 171.47 APE9-dihe-na 67.5, 156.88 APE8-dihe-in -71.53, 145.53 APE8-rot-out 186.89 APE67-dihe-in -63.53, -27.94 -60.87, -45.06 APE12-dist-in 11.1936 APE11-dist-in 11.939 APE10-dist-in 7.9049 APE9-dist-in 3.3087 None PTR321 PTR321 XRAY 2.7 0.21 0.232 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9fuf Homo sapiens CMGC_DYRK1A_HUMAN CMGC 8.4e-91 310.2 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 9FR6A P49841 25 385 420.0 A1IFO:501 Type1 Active DFGin 7.0735 14.1612 BLAminus -136.83, -174.79 60.55, 80.3 -97.86, 24.81 287.57, 77.74 -66.69, -16.26 in-in in 8.5559 Saltbr-in 2.9354 HRD-in -72.59, -48.06 71.15, 12.43 in-in-in SNCiii in-in ActLoopNT-in 2.9919 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -82.91, 171.88 APE9-dihe-na 74.24, 144.89 APE8-dihe-in -96.08, 152.09 APE8-rot-in 291.49 APE67-dihe-inflip 90.67, -36.1 -52.14, 144.18 APE12-dist-in 13.0224 APE11-dist-in 11.047 APE10-dist-in 6.1241 APE9-dist-in 3.2396 None None None XRAY 2.3 0.2 0.232 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr6 Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 9FR6B P49841 36 382 420.0 A1IFO:501 Type1 Active DFGin 7.1281 14.3598 BLAminus -139.12, -179.31 63.06, 81.93 -99.98, 26.01 286.75, 75.51 -71.16, -14.75 in-in in 8.8431 Saltbr-in 2.8359 HRD-in -72.29, -48.89 71.91, 12.0 in-in-in SNCiii in-in ActLoopNT-in 2.9172 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -85.4, 172.1 APE9-dihe-na 77.09, 144.87 APE8-dihe-in -98.08, 154.15 APE8-rot-in 291.27 APE67-dihe-inflip 90.37, -33.63 -52.57, 140.86 APE12-dist-in 13.0706 APE11-dist-in 10.9572 APE10-dist-in 5.9828 APE9-dist-in 3.2201 None None None XRAY 2.3 0.2 0.232 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr6 Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta

Ligand: A1IFO

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