Ligand: QOM (Trametinib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 100.0% 7M0YB
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
STE MAP2K1 MP2K1_HUMAN 7M0YB Q02750 43 382 393.0 ANP:401,QOM:404 ATPlike,Type3 Inactive DFGin 5.9314 13.9674 BLBplus -158.94, 162.56 56.25, 36.06 -89.69, 147.0 54.27, 82.92 -67.13, 108.1 out-out out 15.4927 Saltbr-out 15.9617 HRD-in -58.74, -61.39 74.04, 6.51 out-out-out SNCooo out-out ActLoopNT-out 9.4018 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -63.76, 140.76 APE9-dihe-na -82.11, -165.89 APE8-dihe-out -109.48, -23.44 APE8-rot-out 48.75 APE67-dihe-out -133.69, 134.38 -151.5, 158.4 APE12-dist-out 17.3805 APE11-dist-out 22.4528 APE10-dist-out 23.379 APE9-dist-out 13.66 S218A,S222A None None XRAY 3.45 0.196 0.218 B 397.0 308.0 32 26 26 0 [[68, 361]] 1.0 7m0y STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1

Ligand: QOM (Trametinib)

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 8BW9C
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
STE DSOR1 DSOR1_DROME 8BW9C Q24324 81 384 396.0 ANP:60401,QOM:60402 ATPlike,Type3 Inactive DFGin 5.4773 14.249 BLBplus -159.47, 168.77 62.79, 56.43 -107.18, 135.07 48.27, 89.36 -64.21, 107.83 out-out out 15.5585 Saltbr-out 19.8405 HRD-in -58.37, -64.17 71.81, -9.38 out-out-out SNCooo out-out ActLoopNT-out 8.8494 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -115.48, -57.78 APE9-dihe-na 75.76, 170.55 APE8-dihe-out -89.06, -0.85 APE8-rot-out 170.28 APE67-dihe-out -125.12, 142.75 -125.31, 123.31 APE12-dist-out 17.3843 APE11-dist-out 19.5261 APE10-dist-out 21.9991 APE9-dist-out 14.6441 None None None EM 3.32 999.0 999.0 C 396.0 280.0 24 26 26 0 [[87, 364]] 1.0 8bw9 Drosophila melanogaster STE_DSOR1_DROME STE 2.5e-90 308.3 2.0 256.0 255.0 226 227 228 230 232 116 133 137 206 208 207 209.0 264 252 247 246 245 244 243 242 241 163 Dual specificity mitogen-activated protein kinase kinase dSOR1
STE MAP2K1 MP2K1_HUMAN 7M0YB Q02750 43 382 393.0 ANP:401,QOM:404 ATPlike,Type3 Inactive DFGin 5.9314 13.9674 BLBplus -158.94, 162.56 56.25, 36.06 -89.69, 147.0 54.27, 82.92 -67.13, 108.1 out-out out 15.4927 Saltbr-out 15.9617 HRD-in -58.74, -61.39 74.04, 6.51 out-out-out SNCooo out-out ActLoopNT-out 9.4018 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -63.76, 140.76 APE9-dihe-na -82.11, -165.89 APE8-dihe-out -109.48, -23.44 APE8-rot-out 48.75 APE67-dihe-out -133.69, 134.38 -151.5, 158.4 APE12-dist-out 17.3805 APE11-dist-out 22.4528 APE10-dist-out 23.379 APE9-dist-out 13.66 S218A,S222A None None XRAY 3.45 0.196 0.218 B 397.0 308.0 32 26 26 0 [[68, 361]] 1.0 7m0y Homo sapiens STE_MAP2K1_HUMAN STE 1.1e-96 329.2 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_RABIT 7JURC P29678 41 381 393.0 ANP:401,QOM:402 ATPlike,Type1 Inactive DFGin 6.613 14.002 BLBplus -156.22, 177.66 63.23, 45.15 -109.91, 167.01 49.79, 96.28 -84.59, 94.82 out-out out 15.2731 Saltbr-out 15.8781 HRD-in -66.44, -49.39 76.73, -8.84 out-out-out SNCooo out-out ActLoopNT-out 9.5088 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -118.97, 111.39 APE9-dihe-na -105.66, -145.56 APE8-dihe-out -103.38, -4.62 APE8-rot-out 47.7 APE67-dihe-out -108.36, 139.88 -114.51, 107.19 APE12-dist-out 17.0478 APE11-dist-out 19.9859 APE10-dist-out 22.0123 APE9-dist-out 15.1448 None None None XRAY 2.82 0.237 0.277 C 384.0 304.0 37 26 26 0 [[68, 361]] 1.0 7jur Oryctolagus cuniculus STE_MAP2K1_RABIT STE 2.3e-97 331.4 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_RABIT 7JUXC P29678 40 381 393.0 ANP:401,QOM:402 ATPlike,Type3 Inactive DFGin 6.4278 14.3556 BLBplus -129.48, -171.66 44.07, 32.82 -84.98, 164.12 41.6, 98.75 -82.14, 71.95 out-out out 17.5863 Saltbr-out 20.1916 HRD-in -72.38, -56.06 82.77, -10.45 out-out-out SNCooo out-out ActLoopNT-out 9.1972 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -105.79, 149.07 APE9-dihe-na -128.12, -140.49 APE8-dihe-out -102.97, -28.75 APE8-rot-out 180.26 APE67-dihe-out -123.35, 132.01 -101.05, 135.7 APE12-dist-out 15.9606 APE11-dist-out 18.6447 APE10-dist-out 21.1274 APE9-dist-out 13.9765 None None None XRAY 3.34 0.265 0.283 C 384.0 308.0 34 26 26 0 [[68, 361]] 1.0 7jux Oryctolagus cuniculus STE_MAP2K1_RABIT STE 2.3e-97 331.4 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1

Ligand: QOM (Trametinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 100.0% 8BW9C
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
STE DSOR1 DSOR1_DROME 8BW9C Q24324 81 384 396.0 ANP:60401,QOM:60402 ATPlike,Type3 Inactive DFGin 5.4773 14.249 BLBplus -159.47, 168.77 62.79, 56.43 -107.18, 135.07 48.27, 89.36 -64.21, 107.83 out-out out 15.5585 Saltbr-out 19.8405 HRD-in -58.37, -64.17 71.81, -9.38 out-out-out SNCooo out-out ActLoopNT-out 8.8494 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -115.48, -57.78 APE9-dihe-na 75.76, 170.55 APE8-dihe-out -89.06, -0.85 APE8-rot-out 170.28 APE67-dihe-out -125.12, 142.75 -125.31, 123.31 APE12-dist-out 17.3843 APE11-dist-out 19.5261 APE10-dist-out 21.9991 APE9-dist-out 14.6441 None None None EM 3.32 999.0 999.0 C 396.0 280.0 24 26 26 0 [[87, 364]] 1.0 8bw9 Drosophila melanogaster STE_DSOR1_DROME STE 2.5e-90 308.3 2.0 256.0 255.0 226 227 228 230 232 116 133 137 206 208 207 209.0 264 252 247 246 245 244 243 242 241 163 Dual specificity mitogen-activated protein kinase kinase dSOR1
STE MAP2K1 MP2K1_RABIT 7JURC P29678 41 381 393.0 ANP:401,QOM:402 ATPlike,Type1 Inactive DFGin 6.613 14.002 BLBplus -156.22, 177.66 63.23, 45.15 -109.91, 167.01 49.79, 96.28 -84.59, 94.82 out-out out 15.2731 Saltbr-out 15.8781 HRD-in -66.44, -49.39 76.73, -8.84 out-out-out SNCooo out-out ActLoopNT-out 9.5088 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -118.97, 111.39 APE9-dihe-na -105.66, -145.56 APE8-dihe-out -103.38, -4.62 APE8-rot-out 47.7 APE67-dihe-out -108.36, 139.88 -114.51, 107.19 APE12-dist-out 17.0478 APE11-dist-out 19.9859 APE10-dist-out 22.0123 APE9-dist-out 15.1448 None None None XRAY 2.82 0.237 0.277 C 384.0 304.0 37 26 26 0 [[68, 361]] 1.0 7jur Oryctolagus cuniculus STE_MAP2K1_RABIT STE 2.3e-97 331.4 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_RABIT 7JUXC P29678 40 381 393.0 ANP:401,QOM:402 ATPlike,Type3 Inactive DFGin 6.4278 14.3556 BLBplus -129.48, -171.66 44.07, 32.82 -84.98, 164.12 41.6, 98.75 -82.14, 71.95 out-out out 17.5863 Saltbr-out 20.1916 HRD-in -72.38, -56.06 82.77, -10.45 out-out-out SNCooo out-out ActLoopNT-out 9.1972 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -105.79, 149.07 APE9-dihe-na -128.12, -140.49 APE8-dihe-out -102.97, -28.75 APE8-rot-out 180.26 APE67-dihe-out -123.35, 132.01 -101.05, 135.7 APE12-dist-out 15.9606 APE11-dist-out 18.6447 APE10-dist-out 21.1274 APE9-dist-out 13.9765 None None None XRAY 3.34 0.265 0.283 C 384.0 308.0 34 26 26 0 [[68, 361]] 1.0 7jux Oryctolagus cuniculus STE_MAP2K1_RABIT STE 2.3e-97 331.4 1.0 257.0 257.0 207 208 209 211 213 97 114 118 187 189 188 190.0 245 233 228 227 226 225 224 223 222 144 Dual specificity mitogen-activated protein kinase kinase 1