Ligand: A1IE7

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% 9FR8A
DFGin None 1 33.3% 9FT3A
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 9FT3A Q13627 134 480 763.0 A1IE7:501 Type1 Inactive DFGin 7.5595 15.6952 None -120.59, 174.62 87.74, -111.53 67.1, 10.68 308.34, 93.78 -70.59, -9.71 in-in in 8.8414 Saltbr-in 2.944 HRD-in -61.2, -47.31 80.25, -0.32 in-out-out SNCioo out-out ActLoopNT-out 4.0536 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -109.45, 165.76 APE9-dihe-na 76.29, 154.85 APE8-dihe-in -77.87, 145.0 APE8-rot-out 181.65 APE67-dihe-in -62.64, -27.73 -60.42, -45.99 APE12-dist-in 11.1415 APE11-dist-in 12.0085 APE10-dist-in 7.9543 APE9-dist-in 3.1564 None PTR321 PTR321 XRAY 2.7 0.196 0.23 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft3 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 9FR8A P49841 25 385 420.0 A1IE7:501 Type1 Active DFGin 6.991 14.3251 BLAminus -138.39, -179.52 63.72, 81.82 -96.4, 23.65 287.29, 75.6 -66.3, -11.74 in-in in 8.5529 Saltbr-in 2.9059 HRD-in -71.33, -45.89 67.7, 10.94 in-in-in SNCiii in-in ActLoopNT-in 2.9571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -79.78, 169.84 APE9-dihe-na 80.06, 148.59 APE8-dihe-in -102.16, 146.47 APE8-rot-in 284.89 APE67-dihe-inflip 97.34, -39.62 -53.84, 140.75 APE12-dist-in 13.0812 APE11-dist-in 11.083 APE10-dist-in 6.0117 APE9-dist-in 3.1971 None None None XRAY 2.3 0.191 0.221 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr8 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 9FR8B P49841 36 383 420.0 A1IE7:501 Type1 Active DFGin 7.087 14.3561 BLAminus -145.34, 175.42 68.0, 83.84 -100.29, 22.36 287.83, 75.27 -65.32, -15.0 in-in in 8.7153 Saltbr-in 2.8977 HRD-in -76.0, -49.5 72.49, 12.34 in-in-in SNCiii in-in ActLoopNT-in 2.9624 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.57, 172.15 APE9-dihe-na 78.67, 145.51 APE8-dihe-in -99.99, 146.48 APE8-rot-in 286.49 APE67-dihe-inflip 90.46, -36.44 -48.06, 141.27 APE12-dist-in 13.0668 APE11-dist-in 10.8517 APE10-dist-in 5.8498 APE9-dist-in 3.1528 None None None XRAY 2.3 0.191 0.221 B 442.0 348.0 0 27 27 0 [[56, 340]] 1.0 9fr8 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: A1IE7

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% 9FR8A
DFGin None 1 33.3% 9FT3A
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 9FT3A Q13627 134 480 763.0 A1IE7:501 Type1 Inactive DFGin 7.5595 15.6952 None -120.59, 174.62 87.74, -111.53 67.1, 10.68 308.34, 93.78 -70.59, -9.71 in-in in 8.8414 Saltbr-in 2.944 HRD-in -61.2, -47.31 80.25, -0.32 in-out-out SNCioo out-out ActLoopNT-out 4.0536 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -109.45, 165.76 APE9-dihe-na 76.29, 154.85 APE8-dihe-in -77.87, 145.0 APE8-rot-out 181.65 APE67-dihe-in -62.64, -27.73 -60.42, -45.99 APE12-dist-in 11.1415 APE11-dist-in 12.0085 APE10-dist-in 7.9543 APE9-dist-in 3.1564 None PTR321 PTR321 XRAY 2.7 0.196 0.23 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft3 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 9FR8A P49841 25 385 420.0 A1IE7:501 Type1 Active DFGin 6.991 14.3251 BLAminus -138.39, -179.52 63.72, 81.82 -96.4, 23.65 287.29, 75.6 -66.3, -11.74 in-in in 8.5529 Saltbr-in 2.9059 HRD-in -71.33, -45.89 67.7, 10.94 in-in-in SNCiii in-in ActLoopNT-in 2.9571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -79.78, 169.84 APE9-dihe-na 80.06, 148.59 APE8-dihe-in -102.16, 146.47 APE8-rot-in 284.89 APE67-dihe-inflip 97.34, -39.62 -53.84, 140.75 APE12-dist-in 13.0812 APE11-dist-in 11.083 APE10-dist-in 6.0117 APE9-dist-in 3.1971 None None None XRAY 2.3 0.191 0.221 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr8 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 9FR8B P49841 36 383 420.0 A1IE7:501 Type1 Active DFGin 7.087 14.3561 BLAminus -145.34, 175.42 68.0, 83.84 -100.29, 22.36 287.83, 75.27 -65.32, -15.0 in-in in 8.7153 Saltbr-in 2.8977 HRD-in -76.0, -49.5 72.49, 12.34 in-in-in SNCiii in-in ActLoopNT-in 2.9624 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -81.57, 172.15 APE9-dihe-na 78.67, 145.51 APE8-dihe-in -99.99, 146.48 APE8-rot-in 286.49 APE67-dihe-inflip 90.46, -36.44 -48.06, 141.27 APE12-dist-in 13.0668 APE11-dist-in 10.8517 APE10-dist-in 5.8498 APE9-dist-in 3.1528 None None None XRAY 2.3 0.191 0.221 B 442.0 348.0 0 27 27 0 [[56, 340]] 1.0 9fr8 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: A1IE7

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