Ligand: A1CIF

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9PE9A
DFGin BLBplus 1 33.3% 9PE7A
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 CDK6 CDK6_HUMAN 9PE7A Q00534 10 301 326.0 A1CIF:900 Type1 Inactive DFGin 6.8718 13.1269 BLBplus -137.4, 169.29 57.4, 61.63 -142.77, 164.35 61.09, 86.59 91.92, -16.71 out-out out 12.416 Saltbr-out 9.9299 HRD-in -63.73, -52.58 73.19, -16.54 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 162.46 APE9-dihe-na -100.9, 174.34 APE8-dihe-in -134.69, 96.5 APE8-rot-in 306.93 APE67-dihe-in -54.43, -27.6 -93.0, -5.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 22.3734 APE9-dist-out 12.123 E21V,K26T,T106R,Q149E None None XRAY 2.05 0.216 0.267 A 307.0 262.0 30 27 15 12 [[13, 300]] 1.0 9pe7 CMGC_CDK6_HUMAN CMGC 3.7e-84 289.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC GSK3B GSK3B_HUMAN 9PE9A P49841 36 382 420.0 A1CIF:900 Type1 Inactive DFGin 7.0716 14.2287 BLAminus -128.7, -179.96 59.31, 84.1 -97.11, 26.91 283.64, 74.63 -73.69, -18.15 in-in in 8.351 Saltbr-in 2.7255 HRD-in -68.62, -45.57 65.7, 16.55 in-in-out SNCiio in-out ActLoopNT-in 2.9248 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.94, 165.33 APE9-dihe-na 76.34, 152.28 APE8-dihe-in -69.82, 130.62 APE8-rot-out 176.66 APE67-dihe-in -58.68, -26.71 -39.69, -56.4 APE12-dist-in 13.2799 APE11-dist-in 11.7578 APE10-dist-in 7.0929 APE9-dist-in 3.1547 None PTR216 PTR216 XRAY 2.11 0.221 0.247 A 359.0 332.0 13 27 27 0 [[56, 340]] 1.0 9pe9 CMGC_GSK3B_HUMAN CMGC 2e-70 243.6 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 9PE9B P49841 36 382 420.0 A1CIF:900 Type1 Inactive DFGin 7.0575 14.2183 BLAminus -128.76, -179.81 59.6, 84.42 -97.78, 27.09 283.79, 74.38 -73.25, -17.71 in-in in 8.3532 Saltbr-in 2.7132 HRD-in -68.49, -44.82 64.55, 18.32 in-in-out SNCiio in-out ActLoopNT-in 2.9402 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.27, 163.74 APE9-dihe-na 77.64, 152.05 APE8-dihe-in -69.14, 130.82 APE8-rot-out 177.12 APE67-dihe-in -58.92, -26.81 -39.96, -55.88 APE12-dist-in 13.3604 APE11-dist-in 11.8241 APE10-dist-in 7.1609 APE9-dist-in 3.1723 None PTR216 PTR216 XRAY 2.11 0.221 0.247 B 359.0 332.0 13 27 27 0 [[56, 340]] 1.0 9pe9 CMGC_GSK3B_HUMAN CMGC 2e-70 243.6 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: A1CIF

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9PE9A
DFGin BLBplus 1 33.3% 9PE7A
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 CDK6 CDK6_HUMAN 9PE7A Q00534 10 301 326.0 A1CIF:900 Type1 Inactive DFGin 6.8718 13.1269 BLBplus -137.4, 169.29 57.4, 61.63 -142.77, 164.35 61.09, 86.59 91.92, -16.71 out-out out 12.416 Saltbr-out 9.9299 HRD-in -63.73, -52.58 73.19, -16.54 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 162.46 APE9-dihe-na -100.9, 174.34 APE8-dihe-in -134.69, 96.5 APE8-rot-in 306.93 APE67-dihe-in -54.43, -27.6 -93.0, -5.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 22.3734 APE9-dist-out 12.123 E21V,K26T,T106R,Q149E None None XRAY 2.05 0.216 0.267 A 307.0 262.0 30 27 15 12 [[13, 300]] 1.0 9pe7 Homo sapiens CMGC_CDK6_HUMAN CMGC 3.7e-84 289.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC GSK3B GSK3B_HUMAN 9PE9A P49841 36 382 420.0 A1CIF:900 Type1 Inactive DFGin 7.0716 14.2287 BLAminus -128.7, -179.96 59.31, 84.1 -97.11, 26.91 283.64, 74.63 -73.69, -18.15 in-in in 8.351 Saltbr-in 2.7255 HRD-in -68.62, -45.57 65.7, 16.55 in-in-out SNCiio in-out ActLoopNT-in 2.9248 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.94, 165.33 APE9-dihe-na 76.34, 152.28 APE8-dihe-in -69.82, 130.62 APE8-rot-out 176.66 APE67-dihe-in -58.68, -26.71 -39.69, -56.4 APE12-dist-in 13.2799 APE11-dist-in 11.7578 APE10-dist-in 7.0929 APE9-dist-in 3.1547 None PTR216 PTR216 XRAY 2.11 0.221 0.247 A 359.0 332.0 13 27 27 0 [[56, 340]] 1.0 9pe9 Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.6 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 9PE9B P49841 36 382 420.0 A1CIF:900 Type1 Inactive DFGin 7.0575 14.2183 BLAminus -128.76, -179.81 59.6, 84.42 -97.78, 27.09 283.79, 74.38 -73.25, -17.71 in-in in 8.3532 Saltbr-in 2.7132 HRD-in -68.49, -44.82 64.55, 18.32 in-in-out SNCiio in-out ActLoopNT-in 2.9402 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -144.27, 163.74 APE9-dihe-na 77.64, 152.05 APE8-dihe-in -69.14, 130.82 APE8-rot-out 177.12 APE67-dihe-in -58.92, -26.81 -39.96, -55.88 APE12-dist-in 13.3604 APE11-dist-in 11.8241 APE10-dist-in 7.1609 APE9-dist-in 3.1723 None PTR216 PTR216 XRAY 2.11 0.221 0.247 B 359.0 332.0 13 27 27 0 [[56, 340]] 1.0 9pe9 Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.6 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: A1CIF

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