Ligand: 55E

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3DCVA
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
CAMK PIM1 PIM1_HUMAN 3DCVA P11309 32 305 313.0 55E:500 Type1 Inactive DFGin 6.4113 14.6785 BLAminus -130.48, 168.13 69.03, 78.23 -92.76, 18.93 285.58, 71.29 -63.83, -15.25 in-in in 8.3124 Saltbr-in 2.5592 HRD-naA -64.55, -50.54 72.29, 1.73 in-in-out SNCiio in-out ActLoopNT-in 2.876 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -106.61, -25.99 APE9-dihe-na -54.65, -172.57 APE8-dihe-in -80.08, 136.57 APE8-rot-out 118.16 APE67-dihe-in -59.26, -8.45 -62.5, -57.95 APE12-dist-in 9.5381 APE11-dist-in 8.9721 APE10-dist-in 4.6762 APE9-dist-in 3.8897 None SEP261 SEP261 XRAY 2.7 0.182 0.234 A 328.0 274.0 0 26 26 0 [[38, 290]] 1.0 3dcv CAMK_PIM1_HUMAN CAMK 4.7e-65 225.4 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC GSK3B GSK3B_HUMAN 3Q3BA P49841 35 386 420.0 55E:421 Type1 Active DFGin 6.8592 13.8905 BLAminus -146.51, -174.92 60.73, 82.19 -97.34, 22.93 287.93, 77.72 -66.67, -8.01 in-in in 8.4603 Saltbr-in 2.7177 HRD-in -65.09, -51.43 75.32, 0.61 in-in-in SNCiii in-in ActLoopNT-in 3.0239 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -93.28, 172.26 APE9-dihe-na 79.45, 140.83 APE8-dihe-in -87.39, 149.52 APE8-rot-in 308.45 APE67-dihe-in -68.31, -14.9 -12.45, -80.03 APE12-dist-in 13.0041 APE11-dist-in 11.0599 APE10-dist-in 6.1861 APE9-dist-in 3.1458 None None None XRAY 2.7 0.228 0.259 A 424.0 344.0 8 27 27 0 [[56, 340]] 1.0 3q3b CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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 3Q3BB P49841 35 383 420.0 55E:421 Type1 Active DFGin 6.9437 13.7668 BLAminus -148.03, -175.09 60.19, 82.65 -96.08, 19.99 287.37, 77.74 -64.82, -9.3 in-in in 8.4427 Saltbr-in 2.7893 HRD-in -64.26, -50.5 74.85, 0.78 in-in-in SNCiii in-in ActLoopNT-in 3.0481 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.17, 172.11 APE9-dihe-na 80.0, 136.06 APE8-dihe-in -78.43, 156.9 APE8-rot-in 303.64 APE67-dihe-in -69.77, -0.18 -23.17, -84.47 APE12-dist-in 12.9964 APE11-dist-in 11.0446 APE10-dist-in 6.1791 APE9-dist-in 3.1016 None None None XRAY 2.7 0.228 0.259 B 424.0 341.0 8 27 27 0 [[56, 340]] 1.0 3q3b CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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: 55E

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 3DCVA
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
CAMK PIM1 PIM1_HUMAN 3DCVA P11309 32 305 313.0 55E:500 Type1 Inactive DFGin 6.4113 14.6785 BLAminus -130.48, 168.13 69.03, 78.23 -92.76, 18.93 285.58, 71.29 -63.83, -15.25 in-in in 8.3124 Saltbr-in 2.5592 HRD-naA -64.55, -50.54 72.29, 1.73 in-in-out SNCiio in-out ActLoopNT-in 2.876 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -106.61, -25.99 APE9-dihe-na -54.65, -172.57 APE8-dihe-in -80.08, 136.57 APE8-rot-out 118.16 APE67-dihe-in -59.26, -8.45 -62.5, -57.95 APE12-dist-in 9.5381 APE11-dist-in 8.9721 APE10-dist-in 4.6762 APE9-dist-in 3.8897 None SEP261 SEP261 XRAY 2.7 0.182 0.234 A 328.0 274.0 0 26 26 0 [[38, 290]] 1.0 3dcv Homo sapiens CAMK_PIM1_HUMAN CAMK 4.7e-65 225.4 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC GSK3B GSK3B_HUMAN 3Q3BA P49841 35 386 420.0 55E:421 Type1 Active DFGin 6.8592 13.8905 BLAminus -146.51, -174.92 60.73, 82.19 -97.34, 22.93 287.93, 77.72 -66.67, -8.01 in-in in 8.4603 Saltbr-in 2.7177 HRD-in -65.09, -51.43 75.32, 0.61 in-in-in SNCiii in-in ActLoopNT-in 3.0239 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -93.28, 172.26 APE9-dihe-na 79.45, 140.83 APE8-dihe-in -87.39, 149.52 APE8-rot-in 308.45 APE67-dihe-in -68.31, -14.9 -12.45, -80.03 APE12-dist-in 13.0041 APE11-dist-in 11.0599 APE10-dist-in 6.1861 APE9-dist-in 3.1458 None None None XRAY 2.7 0.228 0.259 A 424.0 344.0 8 27 27 0 [[56, 340]] 1.0 3q3b Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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 3Q3BB P49841 35 383 420.0 55E:421 Type1 Active DFGin 6.9437 13.7668 BLAminus -148.03, -175.09 60.19, 82.65 -96.08, 19.99 287.37, 77.74 -64.82, -9.3 in-in in 8.4427 Saltbr-in 2.7893 HRD-in -64.26, -50.5 74.85, 0.78 in-in-in SNCiii in-in ActLoopNT-in 3.0481 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.17, 172.11 APE9-dihe-na 80.0, 136.06 APE8-dihe-in -78.43, 156.9 APE8-rot-in 303.64 APE67-dihe-in -69.77, -0.18 -23.17, -84.47 APE12-dist-in 12.9964 APE11-dist-in 11.0446 APE10-dist-in 6.1791 APE9-dist-in 3.1016 None None None XRAY 2.7 0.228 0.259 B 424.0 341.0 8 27 27 0 [[56, 340]] 1.0 3q3b Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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: 55E

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