Ligand: B45

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 3GC8A
DFGin BLBplus 1 20.0% 3GC7A
DFGin None 1 20.0% 3GC9A
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 MAPK11 MK11_HUMAN 3GC9B Q15759 2 349 364.0 B45:365 Type1 Inactive DFGin 4.4209 14.0154 ABAminus -83.53, -36.12 -149.13, -175.61 -122.49, 15.84 304.05, 106.03 77.91, 14.23 in-out in 9.7882 Saltbr-out 4.4776 HRD-in -68.9, -57.69 84.63, -21.04 out-out-out SNCooo out-out ActLoopNT-out 10.0319 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 80.52 APE9-dihe-na -52.15, 151.0 APE8-dihe-in -84.08, 155.41 APE8-rot-out 73.52 APE67-dihe-in -62.49, -15.57 -103.96, 13.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 16.3275 APE9-dist-out 10.6745 C119S,C162S None None XRAY 2.05 0.224 0.275 B 370.0 339.0 9 25 16 9 [[24, 308]] 1.0 3gc9 CMGC_MAPK11_HUMAN CMGC 1.6e-82 283.1 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8A Q15759 3 349 364.0 B45:365 Type1 Inactive DFGin 4.2154 14.1216 ABAminus -85.81, -36.48 -146.78, -173.59 -126.87, 32.78 315.82, 111.06 81.62, 23.81 in-out in 9.8628 Saltbr-out 3.8494 HRD-in -61.53, -58.29 80.13, -17.01 out-out-out SNCooo out-out ActLoopNT-out 12.6798 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooo APE10-dihe-na -67.59, -26.03 APE9-dihe-na -67.17, 106.03 APE8-dihe-in -72.72, 142.86 APE8-rot-out 160.64 APE67-dihe-in -67.46, -23.26 -105.06, 8.96 APE12-dist-in 13.442 APE11-dist-out 18.2621 APE10-dist-out 15.8708 APE9-dist-out 11.1135 C162S None None XRAY 2.4 0.212 0.272 A 370.0 347.0 0 25 25 0 [[24, 308]] 1.0 3gc8 CMGC_MAPK11_HUMAN CMGC 3.1e-82 282.2 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8B Q15759 4 349 364.0 B45:365 Type1 Inactive DFGin 4.5826 14.2275 ABAminus -90.38, -38.27 -140.96, -170.63 -125.07, 15.32 302.94, 108.62 92.31, 1.86 in-out in 9.8479 Saltbr-out 8.8569 HRD-in -72.73, -54.71 81.29, -20.55 out-out-out SNCooo out-out ActLoopNT-out 11.4106 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -89.32, 111.34 APE9-dihe-na -46.48, 134.02 APE8-dihe-in -66.11, 142.07 APE8-rot-out 60.13 APE67-dihe-in -59.08, -18.4 -100.42, 4.06 APE12-dist-out 19.0586 APE11-dist-out 17.3974 APE10-dist-out 17.1577 APE9-dist-out 10.8877 C162S None None XRAY 2.4 0.212 0.272 B 370.0 346.0 0 25 25 0 [[24, 308]] 1.0 3gc8 CMGC_MAPK11_HUMAN CMGC 3.1e-82 282.2 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC9A Q15759 3 348 364.0 B45:365 Type1 Inactive DFGin 4.5577 14.0834 None -99.4, 135.63 55.61, 168.55 -126.62, 27.34 309.47, 109.49 93.22, 8.24 in-out in 9.6686 Saltbr-out 4.0554 HRD-in -70.45, -55.0 82.48, -18.24 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 148.74 APE8-dihe-in -70.43, 137.59 APE8-rot-out 173.62 APE67-dihe-in -61.21, -17.49 -105.03, 7.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6952 C119S,C162S None None XRAY 2.05 0.224 0.275 A 370.0 335.0 11 25 14 11 [[24, 308]] 1.0 3gc9 CMGC_MAPK11_HUMAN CMGC 1.6e-82 283.1 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 3GC7A Q16539 4 352 360.0 B45:361 Type1 Inactive DFGin 6.8914 15.6924 BLBplus -130.29, -178.32 55.87, 56.48 -136.93, 164.81 70.99, 105.71 67.06, 10.11 in-in in 9.1173 Saltbr-in 2.6265 HRD-in -64.07, -56.2 85.52, -15.66 in-out-out SNCioo out-out ActLoopNT-out 10.363 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -134.45, 132.85 APE9-dihe-na -61.59, -21.21 APE8-dihe-out -58.27, -23.47 APE8-rot-out 53.22 APE67-dihe-in -60.64, -23.63 -113.11, -23.09 APE12-dist-out 22.1523 APE11-dist-out 24.1078 APE10-dist-out 18.3509 APE9-dist-out 11.736 C162S None None XRAY 1.8 0.182 0.208 A 366.0 349.0 0 25 25 0 [[24, 308]] 1.0 3gc7 CMGC_MAPK14_HUMAN CMGC 1.6e-84 289.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: B45

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 60.0% 3GC8A
DFGin BLBplus 1 20.0% 3GC7A
DFGin None 1 20.0% 3GC9A
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 MAPK11 MK11_HUMAN 3GC9B Q15759 2 349 364.0 B45:365 Type1 Inactive DFGin 4.4209 14.0154 ABAminus -83.53, -36.12 -149.13, -175.61 -122.49, 15.84 304.05, 106.03 77.91, 14.23 in-out in 9.7882 Saltbr-out 4.4776 HRD-in -68.9, -57.69 84.63, -21.04 out-out-out SNCooo out-out ActLoopNT-out 10.0319 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 80.52 APE9-dihe-na -52.15, 151.0 APE8-dihe-in -84.08, 155.41 APE8-rot-out 73.52 APE67-dihe-in -62.49, -15.57 -103.96, 13.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 16.3275 APE9-dist-out 10.6745 C119S,C162S None None XRAY 2.05 0.224 0.275 B 370.0 339.0 9 25 16 9 [[24, 308]] 1.0 3gc9 Homo sapiens CMGC_MAPK11_HUMAN CMGC 1.6e-82 283.1 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8A Q15759 3 349 364.0 B45:365 Type1 Inactive DFGin 4.2154 14.1216 ABAminus -85.81, -36.48 -146.78, -173.59 -126.87, 32.78 315.82, 111.06 81.62, 23.81 in-out in 9.8628 Saltbr-out 3.8494 HRD-in -61.53, -58.29 80.13, -17.01 out-out-out SNCooo out-out ActLoopNT-out 12.6798 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iooo APE10-dihe-na -67.59, -26.03 APE9-dihe-na -67.17, 106.03 APE8-dihe-in -72.72, 142.86 APE8-rot-out 160.64 APE67-dihe-in -67.46, -23.26 -105.06, 8.96 APE12-dist-in 13.442 APE11-dist-out 18.2621 APE10-dist-out 15.8708 APE9-dist-out 11.1135 C162S None None XRAY 2.4 0.212 0.272 A 370.0 347.0 0 25 25 0 [[24, 308]] 1.0 3gc8 Homo sapiens CMGC_MAPK11_HUMAN CMGC 3.1e-82 282.2 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC8B Q15759 4 349 364.0 B45:365 Type1 Inactive DFGin 4.5826 14.2275 ABAminus -90.38, -38.27 -140.96, -170.63 -125.07, 15.32 302.94, 108.62 92.31, 1.86 in-out in 9.8479 Saltbr-out 8.8569 HRD-in -72.73, -54.71 81.29, -20.55 out-out-out SNCooo out-out ActLoopNT-out 11.4106 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -89.32, 111.34 APE9-dihe-na -46.48, 134.02 APE8-dihe-in -66.11, 142.07 APE8-rot-out 60.13 APE67-dihe-in -59.08, -18.4 -100.42, 4.06 APE12-dist-out 19.0586 APE11-dist-out 17.3974 APE10-dist-out 17.1577 APE9-dist-out 10.8877 C162S None None XRAY 2.4 0.212 0.272 B 370.0 346.0 0 25 25 0 [[24, 308]] 1.0 3gc8 Homo sapiens CMGC_MAPK11_HUMAN CMGC 3.1e-82 282.2 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK11 MK11_HUMAN 3GC9A Q15759 3 348 364.0 B45:365 Type1 Inactive DFGin 4.5577 14.0834 None -99.4, 135.63 55.61, 168.55 -126.62, 27.34 309.47, 109.49 93.22, 8.24 in-out in 9.6686 Saltbr-out 4.0554 HRD-in -70.45, -55.0 82.48, -18.24 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 148.74 APE8-dihe-in -70.43, 137.59 APE8-rot-out 173.62 APE67-dihe-in -61.21, -17.49 -105.03, 7.11 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.6952 C119S,C162S None None XRAY 2.05 0.224 0.275 A 370.0 335.0 11 25 14 11 [[24, 308]] 1.0 3gc9 Homo sapiens CMGC_MAPK11_HUMAN CMGC 1.6e-82 283.1 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 3GC7A Q16539 4 352 360.0 B45:361 Type1 Inactive DFGin 6.8914 15.6924 BLBplus -130.29, -178.32 55.87, 56.48 -136.93, 164.81 70.99, 105.71 67.06, 10.11 in-in in 9.1173 Saltbr-in 2.6265 HRD-in -64.07, -56.2 85.52, -15.66 in-out-out SNCioo out-out ActLoopNT-out 10.363 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -134.45, 132.85 APE9-dihe-na -61.59, -21.21 APE8-dihe-out -58.27, -23.47 APE8-rot-out 53.22 APE67-dihe-in -60.64, -23.63 -113.11, -23.09 APE12-dist-out 22.1523 APE11-dist-out 24.1078 APE10-dist-out 18.3509 APE9-dist-out 11.736 C162S None None XRAY 1.8 0.182 0.208 A 366.0 349.0 0 25 25 0 [[24, 308]] 1.0 3gc7 Homo sapiens CMGC_MAPK14_HUMAN CMGC 1.6e-84 289.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: B45

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