Ligand: A1EKR

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% 9LTAA
DFGin None 1 33.3% 9LTAB
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 MAPK1 MK01_HUMAN 9LNRA P28482 9 358 360.0 A1EKR:401 Type1 Inactive DFGin 6.8939 14.8353 BLAminus -132.98, -174.48 54.93, 86.46 -100.06, 23.76 285.97, 66.46 -61.1, -34.13 in-in in 9.0292 Saltbr-in 2.5011 HRD-in -74.57, -52.5 79.29, -5.96 in-in-out SNCiio in-out ActLoopNT-in 2.7074 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -155.64 APE8-rot-out 57.16 APE67-dihe-in -69.2, -14.2 -106.5, 12.61 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.213 0.277 A 380.0 333.0 17 31 16 15 [[25, 313]] 1.0 9lnr CMGC_MAPK1_HUMAN CMGC 1.1e-85 293.5 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK7 MK07_HUMAN 9LTAA Q13164 54 392 816.0 A1EKR:401 Type1 Inactive DFGin 6.6074 15.5278 BLAminus -135.69, -169.81 54.4, 76.33 -95.42, 6.98 288.23, 85.74 -47.3, -35.49 in-in in 9.5856 Saltbr-in 3.5203 HRD-in -76.0, -47.98 77.8, -18.18 in-in-out SNCiio in-out ActLoopNT-in 2.7795 ActLoopCT-out nonTYR APEdihe_aanii APEdist_onnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 119.64 APE8-rot-in 255.1 APE67-dihe-in -62.62, -33.42 -79.8, -6.21 APE12-dist-out 14.581 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.33 0.252 0.292 A 346.0 325.0 14 32 18 14 [[55, 347]] 1.0 9lta CMGC_MAPK7_HUMAN CMGC 4.3e-81 278.5 1.0 301.0 301.0 199 200 201 203 205 84 102 106 179 181 180 182.0 244 231 226 225 224 223 222 221 220 138 Mitogen-activated protein kinase 7
CMGC MAPK7 MK07_HUMAN 9LTAB Q13164 50 393 816.0 A1EKR:401 Type1 Inactive DFGin 6.7132 16.0319 None -133.43, -159.55 65.18, -109.2 88.58, 2.31 289.32, 97.82 -50.15, -33.97 in-out in 9.903 Saltbr-out 4.1905 HRD-in -74.24, -46.7 76.49, -19.02 out-in-out SNCoio in-out ActLoopNT-in 3.0531 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -98.86, 114.14 APE9-dihe-na 64.16, 0.87 APE8-dihe-out -99.06, 1.52 APE8-rot-out 36.89 APE67-dihe-in -62.91, -30.4 -78.64, -10.21 APE12-dist-in 11.2468 APE11-dist-in 10.5167 APE10-dist-out 13.6196 APE9-dist-out 11.7225 None None None XRAY 2.33 0.252 0.292 B 346.0 342.0 2 32 32 0 [[55, 347]] 1.0 9lta CMGC_MAPK7_HUMAN CMGC 4.3e-81 278.5 1.0 301.0 301.0 199 200 201 203 205 84 102 106 179 181 180 182.0 244 231 226 225 224 223 222 221 220 138 Mitogen-activated protein kinase 7

Ligand: A1EKR

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% 9LTAA
DFGin None 1 33.3% 9LTAB
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 MAPK1 MK01_HUMAN 9LNRA P28482 9 358 360.0 A1EKR:401 Type1 Inactive DFGin 6.8939 14.8353 BLAminus -132.98, -174.48 54.93, 86.46 -100.06, 23.76 285.97, 66.46 -61.1, -34.13 in-in in 9.0292 Saltbr-in 2.5011 HRD-in -74.57, -52.5 79.29, -5.96 in-in-out SNCiio in-out ActLoopNT-in 2.7074 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -155.64 APE8-rot-out 57.16 APE67-dihe-in -69.2, -14.2 -106.5, 12.61 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.1 0.213 0.277 A 380.0 333.0 17 31 16 15 [[25, 313]] 1.0 9lnr Homo sapiens CMGC_MAPK1_HUMAN CMGC 1.1e-85 293.5 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK7 MK07_HUMAN 9LTAA Q13164 54 392 816.0 A1EKR:401 Type1 Inactive DFGin 6.6074 15.5278 BLAminus -135.69, -169.81 54.4, 76.33 -95.42, 6.98 288.23, 85.74 -47.3, -35.49 in-in in 9.5856 Saltbr-in 3.5203 HRD-in -76.0, -47.98 77.8, -18.18 in-in-out SNCiio in-out ActLoopNT-in 2.7795 ActLoopCT-out nonTYR APEdihe_aanii APEdist_onnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 119.64 APE8-rot-in 255.1 APE67-dihe-in -62.62, -33.42 -79.8, -6.21 APE12-dist-out 14.581 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.33 0.252 0.292 A 346.0 325.0 14 32 18 14 [[55, 347]] 1.0 9lta Homo sapiens CMGC_MAPK7_HUMAN CMGC 4.3e-81 278.5 1.0 301.0 301.0 199 200 201 203 205 84 102 106 179 181 180 182.0 244 231 226 225 224 223 222 221 220 138 Mitogen-activated protein kinase 7
CMGC MAPK7 MK07_HUMAN 9LTAB Q13164 50 393 816.0 A1EKR:401 Type1 Inactive DFGin 6.7132 16.0319 None -133.43, -159.55 65.18, -109.2 88.58, 2.31 289.32, 97.82 -50.15, -33.97 in-out in 9.903 Saltbr-out 4.1905 HRD-in -74.24, -46.7 76.49, -19.02 out-in-out SNCoio in-out ActLoopNT-in 3.0531 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -98.86, 114.14 APE9-dihe-na 64.16, 0.87 APE8-dihe-out -99.06, 1.52 APE8-rot-out 36.89 APE67-dihe-in -62.91, -30.4 -78.64, -10.21 APE12-dist-in 11.2468 APE11-dist-in 10.5167 APE10-dist-out 13.6196 APE9-dist-out 11.7225 None None None XRAY 2.33 0.252 0.292 B 346.0 342.0 2 32 32 0 [[55, 347]] 1.0 9lta Homo sapiens CMGC_MAPK7_HUMAN CMGC 4.3e-81 278.5 1.0 301.0 301.0 199 200 201 203 205 84 102 106 179 181 180 182.0 244 231 226 225 224 223 222 221 220 138 Mitogen-activated protein kinase 7

Ligand: A1EKR

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