Ligand: A1IFJ

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% 9FR7A
DFGin None 1 33.3% 9FT4A
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 9FT4A Q13627 134 480 763.0 A1IFJ:501 Type1 Inactive DFGin 7.628 15.7669 None -120.71, -156.86 61.01, -103.63 67.38, -3.25 294.05, 97.87 -71.86, -4.64 in-in in 9.0659 Saltbr-in 3.1765 HRD-in -62.39, -36.73 64.58, 13.09 in-out-out SNCioo out-out ActLoopNT-out 4.0281 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.4, 173.83 APE9-dihe-na 66.37, 159.49 APE8-dihe-in -70.35, 150.45 APE8-rot-out 182.43 APE67-dihe-in -65.5, -29.58 -61.56, -47.55 APE12-dist-in 11.2318 APE11-dist-in 11.9502 APE10-dist-in 7.9178 APE9-dist-in 3.4052 None PTR321 PTR321 XRAY 3.0 0.203 0.237 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft4 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 9FR7A P49841 25 385 420.0 A1IFJ:501 Type1 Active DFGin 6.912 13.9494 BLAminus -136.24, -176.42 58.55, 87.09 -104.67, 27.04 287.13, 78.6 -71.53, -14.0 in-in in 8.6316 Saltbr-in 2.8018 HRD-in -71.98, -46.0 72.36, 9.7 in-in-in SNCiii in-in ActLoopNT-in 2.9869 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.42, 177.43 APE9-dihe-na 69.9, 145.82 APE8-dihe-in -94.03, 156.28 APE8-rot-in 289.17 APE67-dihe-inflip 91.05, -31.63 -52.45, 141.85 APE12-dist-in 13.1081 APE11-dist-in 11.1214 APE10-dist-in 6.1207 APE9-dist-in 3.1495 None None None XRAY 2.3 0.199 0.229 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr7 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 9FR7B P49841 36 382 420.0 A1IFJ:501 Type1 Active DFGin 6.9902 13.9524 BLAminus -139.3, -178.5 61.7, 87.08 -105.92, 24.05 284.91, 80.77 -70.11, -13.68 in-in in 8.5932 Saltbr-in 2.7099 HRD-in -71.41, -48.43 71.41, 11.5 in-in-in SNCiii in-in ActLoopNT-in 2.9398 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.82, 177.23 APE9-dihe-na 70.05, 146.13 APE8-dihe-in -96.47, 160.58 APE8-rot-in 285.27 APE67-dihe-inflip 87.67, -29.95 -51.57, 140.33 APE12-dist-in 13.0082 APE11-dist-in 11.0074 APE10-dist-in 6.0448 APE9-dist-in 3.156 None None None XRAY 2.3 0.199 0.229 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr7 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: A1IFJ

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% 9FR7A
DFGin None 1 33.3% 9FT4A
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 9FT4A Q13627 134 480 763.0 A1IFJ:501 Type1 Inactive DFGin 7.628 15.7669 None -120.71, -156.86 61.01, -103.63 67.38, -3.25 294.05, 97.87 -71.86, -4.64 in-in in 9.0659 Saltbr-in 3.1765 HRD-in -62.39, -36.73 64.58, 13.09 in-out-out SNCioo out-out ActLoopNT-out 4.0281 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.4, 173.83 APE9-dihe-na 66.37, 159.49 APE8-dihe-in -70.35, 150.45 APE8-rot-out 182.43 APE67-dihe-in -65.5, -29.58 -61.56, -47.55 APE12-dist-in 11.2318 APE11-dist-in 11.9502 APE10-dist-in 7.9178 APE9-dist-in 3.4052 None PTR321 PTR321 XRAY 3.0 0.203 0.237 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft4 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 9FR7A P49841 25 385 420.0 A1IFJ:501 Type1 Active DFGin 6.912 13.9494 BLAminus -136.24, -176.42 58.55, 87.09 -104.67, 27.04 287.13, 78.6 -71.53, -14.0 in-in in 8.6316 Saltbr-in 2.8018 HRD-in -71.98, -46.0 72.36, 9.7 in-in-in SNCiii in-in ActLoopNT-in 2.9869 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.42, 177.43 APE9-dihe-na 69.9, 145.82 APE8-dihe-in -94.03, 156.28 APE8-rot-in 289.17 APE67-dihe-inflip 91.05, -31.63 -52.45, 141.85 APE12-dist-in 13.1081 APE11-dist-in 11.1214 APE10-dist-in 6.1207 APE9-dist-in 3.1495 None None None XRAY 2.3 0.199 0.229 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr7 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 9FR7B P49841 36 382 420.0 A1IFJ:501 Type1 Active DFGin 6.9902 13.9524 BLAminus -139.3, -178.5 61.7, 87.08 -105.92, 24.05 284.91, 80.77 -70.11, -13.68 in-in in 8.5932 Saltbr-in 2.7099 HRD-in -71.41, -48.43 71.41, 11.5 in-in-in SNCiii in-in ActLoopNT-in 2.9398 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.82, 177.23 APE9-dihe-na 70.05, 146.13 APE8-dihe-in -96.47, 160.58 APE8-rot-in 285.27 APE67-dihe-inflip 87.67, -29.95 -51.57, 140.33 APE12-dist-in 13.0082 APE11-dist-in 11.0074 APE10-dist-in 6.0448 APE9-dist-in 3.156 None None None XRAY 2.3 0.199 0.229 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr7 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: A1IFJ

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