Ligand: IE6

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 9FR9A
DFGin None 1 20.0% 9FT2A
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 9FT2A Q13627 134 480 763.0 A1IE6:501 Type1 Inactive DFGin 7.574 15.8948 None -123.41, -159.52 69.59, -109.27 67.33, -3.52 296.76, 96.58 -76.19, -5.59 in-in in 9.1443 Saltbr-in 3.2983 HRD-in -61.34, -38.17 66.08, 9.45 in-out-out SNCioo out-out ActLoopNT-out 4.1136 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -106.57, 172.34 APE9-dihe-na 65.66, 156.83 APE8-dihe-in -69.73, 153.42 APE8-rot-out 183.57 APE67-dihe-in -64.1, -34.34 -62.54, -50.05 APE12-dist-in 11.1649 APE11-dist-in 11.8684 APE10-dist-in 7.9234 APE9-dist-in 3.3634 None PTR321 PTR321 XRAY 2.9 0.212 0.235 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft2 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 9FR9A P49841 25 385 420.0 A1IE6:501 Type1 Active DFGin 7.0374 14.3248 BLAminus -140.22, -173.71 59.89, 84.2 -98.36, 22.56 286.21, 81.87 -68.06, -16.06 in-in in 8.4621 Saltbr-in 2.928 HRD-in -72.09, -48.73 72.37, 5.47 in-in-in SNCiii in-in ActLoopNT-in 2.9713 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.48, 176.45 APE9-dihe-na 79.51, 153.1 APE8-dihe-in -106.78, 146.27 APE8-rot-in 287.32 APE67-dihe-inflip 100.87, -37.49 -40.18, 126.82 APE12-dist-in 13.0195 APE11-dist-in 11.0304 APE10-dist-in 5.997 APE9-dist-in 3.1732 None None None XRAY 2.55 0.197 0.234 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr9 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 9FR9B P49841 36 382 420.0 A1IE6:501 Type1 Active DFGin 6.9697 14.4133 BLAminus -146.13, 179.78 62.16, 86.8 -103.01, 25.64 284.6, 80.86 -74.54, -16.98 in-in in 8.7597 Saltbr-in 3.487 HRD-in -67.74, -52.21 72.42, 13.09 in-in-in SNCiii in-in ActLoopNT-in 2.8715 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -89.09, 170.35 APE9-dihe-na 79.85, 140.07 APE8-dihe-in -93.7, 153.67 APE8-rot-in 288.81 APE67-dihe-inflip 99.37, -31.56 -52.24, 133.09 APE12-dist-in 12.9815 APE11-dist-in 10.8097 APE10-dist-in 5.7912 APE9-dist-in 3.1814 None None None XRAY 2.55 0.197 0.234 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr9 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
STE MAP3K5 M3K5_HUMAN 4BIEA Q99683 670 940 1374.0 IE6:1942 Type1 Inactive DFGin 6.6253 13.3353 BLAminus -106.98, -175.45 45.85, 99.41 -108.71, 17.72 301.37, 101.11 -72.7, -39.67 in-in in 8.4702 Saltbr-in 2.9479 HRD-in -68.25, -48.97 78.37, -0.9 in-in-out SNCiio in-out ActLoopNT-in 3.2017 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -120.69, 130.25 APE9-dihe-na -69.58, -174.96 APE8-dihe-in -63.32, 129.38 APE8-rot-in 309.24 APE67-dihe-in -64.21, -7.52 -51.07, -54.4 APE12-dist-in 10.7919 APE11-dist-out 5.2492 APE10-dist-out 9.4222 APE9-dist-in 3.3812 T838E None None XRAY 2.36 0.212 0.253 A 318.0 257.0 14 28 22 6 [[678, 938]] 1.0 4bie STE_MAP3K5_HUMAN STE 1.6e-80 276.2 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 4BIEB Q99683 670 941 1374.0 IE6:1943 Type1 Inactive DFGin 6.5489 13.4731 BLAminus -114.43, 179.36 48.03, 98.73 -110.34, 26.8 303.44, 92.42 -71.11, -34.15 in-in in 8.5877 Saltbr-in 3.0134 HRD-in -66.09, -44.17 66.71, 1.27 in-in-out SNCiio in-out ActLoopNT-in 2.9054 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -136.98, 115.45 APE9-dihe-na -86.27, -157.16 APE8-dihe-in -81.66, 117.27 APE8-rot-in 313.7 APE67-dihe-in -62.93, -22.85 -39.01, -55.55 APE12-dist-none 999.0 APE11-dist-out 6.9896 APE10-dist-out 9.9212 APE9-dist-in 4.0875 T838E None None XRAY 2.36 0.212 0.253 B 318.0 257.0 15 28 20 8 [[678, 938]] 1.0 4bie STE_MAP3K5_HUMAN STE 1.6e-80 276.2 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5

Ligand: IE6

Total number of chains: 5
Active chains: 2
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 9FR9A
DFGin None 1 20.0% 9FT2A
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 9FT2A Q13627 134 480 763.0 A1IE6:501 Type1 Inactive DFGin 7.574 15.8948 None -123.41, -159.52 69.59, -109.27 67.33, -3.52 296.76, 96.58 -76.19, -5.59 in-in in 9.1443 Saltbr-in 3.2983 HRD-in -61.34, -38.17 66.08, 9.45 in-out-out SNCioo out-out ActLoopNT-out 4.1136 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -106.57, 172.34 APE9-dihe-na 65.66, 156.83 APE8-dihe-in -69.73, 153.42 APE8-rot-out 183.57 APE67-dihe-in -64.1, -34.34 -62.54, -50.05 APE12-dist-in 11.1649 APE11-dist-in 11.8684 APE10-dist-in 7.9234 APE9-dist-in 3.3634 None PTR321 PTR321 XRAY 2.9 0.212 0.235 A 361.0 342.0 5 25 25 0 [[159, 479]] 1.0 9ft2 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 9FR9A P49841 25 385 420.0 A1IE6:501 Type1 Active DFGin 7.0374 14.3248 BLAminus -140.22, -173.71 59.89, 84.2 -98.36, 22.56 286.21, 81.87 -68.06, -16.06 in-in in 8.4621 Saltbr-in 2.928 HRD-in -72.09, -48.73 72.37, 5.47 in-in-in SNCiii in-in ActLoopNT-in 2.9713 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.48, 176.45 APE9-dihe-na 79.51, 153.1 APE8-dihe-in -106.78, 146.27 APE8-rot-in 287.32 APE67-dihe-inflip 100.87, -37.49 -40.18, 126.82 APE12-dist-in 13.0195 APE11-dist-in 11.0304 APE10-dist-in 5.997 APE9-dist-in 3.1732 None None None XRAY 2.55 0.197 0.234 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9fr9 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 9FR9B P49841 36 382 420.0 A1IE6:501 Type1 Active DFGin 6.9697 14.4133 BLAminus -146.13, 179.78 62.16, 86.8 -103.01, 25.64 284.6, 80.86 -74.54, -16.98 in-in in 8.7597 Saltbr-in 3.487 HRD-in -67.74, -52.21 72.42, 13.09 in-in-in SNCiii in-in ActLoopNT-in 2.8715 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -89.09, 170.35 APE9-dihe-na 79.85, 140.07 APE8-dihe-in -93.7, 153.67 APE8-rot-in 288.81 APE67-dihe-inflip 99.37, -31.56 -52.24, 133.09 APE12-dist-in 12.9815 APE11-dist-in 10.8097 APE10-dist-in 5.7912 APE9-dist-in 3.1814 None None None XRAY 2.55 0.197 0.234 B 442.0 347.0 0 27 27 0 [[56, 340]] 1.0 9fr9 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
STE MAP3K5 M3K5_HUMAN 4BIEA Q99683 670 940 1374.0 IE6:1942 Type1 Inactive DFGin 6.6253 13.3353 BLAminus -106.98, -175.45 45.85, 99.41 -108.71, 17.72 301.37, 101.11 -72.7, -39.67 in-in in 8.4702 Saltbr-in 2.9479 HRD-in -68.25, -48.97 78.37, -0.9 in-in-out SNCiio in-out ActLoopNT-in 3.2017 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -120.69, 130.25 APE9-dihe-na -69.58, -174.96 APE8-dihe-in -63.32, 129.38 APE8-rot-in 309.24 APE67-dihe-in -64.21, -7.52 -51.07, -54.4 APE12-dist-in 10.7919 APE11-dist-out 5.2492 APE10-dist-out 9.4222 APE9-dist-in 3.3812 T838E None None XRAY 2.36 0.212 0.253 A 318.0 257.0 14 28 22 6 [[678, 938]] 1.0 4bie Homo sapiens STE_MAP3K5_HUMAN STE 1.6e-80 276.2 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 4BIEB Q99683 670 941 1374.0 IE6:1943 Type1 Inactive DFGin 6.5489 13.4731 BLAminus -114.43, 179.36 48.03, 98.73 -110.34, 26.8 303.44, 92.42 -71.11, -34.15 in-in in 8.5877 Saltbr-in 3.0134 HRD-in -66.09, -44.17 66.71, 1.27 in-in-out SNCiio in-out ActLoopNT-in 2.9054 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -136.98, 115.45 APE9-dihe-na -86.27, -157.16 APE8-dihe-in -81.66, 117.27 APE8-rot-in 313.7 APE67-dihe-in -62.93, -22.85 -39.01, -55.55 APE12-dist-none 999.0 APE11-dist-out 6.9896 APE10-dist-out 9.9212 APE9-dist-in 4.0875 T838E None None XRAY 2.36 0.212 0.253 B 318.0 257.0 15 28 20 8 [[678, 938]] 1.0 4bie Homo sapiens STE_MAP3K5_HUMAN STE 1.6e-80 276.2 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5

Ligand: IE6

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