Ligand: EUI (Cobimetinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 3 100.0% 4AN2A
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 4LMNA Q02750 62 382 393.0 ANP:60501,EUI:60503 ATPlike,Type3 Inactive DFGin 6.1087 13.4073 BLBplus -150.33, -178.45 56.52, 30.25 -84.69, 155.37 45.37, 87.33 -80.58, 74.43 out-out out 15.5596 Saltbr-out 15.7763 HRD-in -60.71, -57.05 86.56, -12.8 out-out-out SNCooo out-out ActLoopNT-out 9.0127 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -106.36, -106.55 APE9-dihe-na -110.69, -4.9 APE8-dihe-out -94.39, -2.53 APE8-rot-out 38.79 APE67-dihe-out -120.37, 128.01 -144.86, 111.2 APE12-dist-out 20.4741 APE11-dist-out 19.7321 APE10-dist-out 22.049 APE9-dist-out 15.3113 None None None XRAY 2.8 0.193 0.233 A 341.0 291.0 30 26 26 0 [[68, 361]] 1.0 4lmn STE_MAP2K1_HUMAN STE 1.5e-97 331.9 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_HUMAN 7M0VB Q02750 42 383 393.0 ANP:801,EUI:803 ATPlike,Type3 Inactive DFGin 6.0381 13.7379 BLBplus -152.98, 176.74 51.89, 40.05 -97.58, 155.01 48.54, 94.68 -74.32, 76.65 out-out out 15.3562 Saltbr-out 15.2475 HRD-in -53.62, -41.23 79.48, -8.01 out-out-out SNCooo out-out ActLoopNT-out 8.4508 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -59.78, 136.18 APE9-dihe-na -90.07, -164.06 APE8-dihe-out -111.55, -13.91 APE8-rot-out 80.18 APE67-dihe-out -157.27, 123.12 -113.49, 175.2 APE12-dist-out 17.7535 APE11-dist-out 19.5873 APE10-dist-out 21.2162 APE9-dist-out 13.438 S218A,S222A None None XRAY 3.16 0.188 0.234 B 397.0 310.0 32 26 26 0 [[68, 361]] 1.0 7m0v 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_HUMAN 4AN2A Q02750 61 381 393.0 EUI:61382,ACP:61383 Type3,ATPlike Inactive DFGin 6.5059 13.6203 BLBplus -122.79, 178.99 56.84, 40.15 -92.39, 167.6 39.23, 93.66 -89.21, 72.99 out-out out 15.4473 Saltbr-out 15.2762 HRD-in -67.56, -54.42 79.08, -11.1 out-out-out SNCooo out-out ActLoopNT-out 9.0354 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -98.27, 63.09 APE9-dihe-na -45.72, -71.67 APE8-dihe-in -89.8, 67.42 APE8-rot-out 5.41 APE67-dihe-in -66.45, -14.82 -49.39, -42.64 APE12-dist-out 17.4744 APE11-dist-out 16.5588 APE10-dist-out 17.0301 APE9-dist-out 8.7163 S218E,S222E,G328A None None XRAY 2.5 0.215 0.299 A 301.0 279.0 0 26 26 0 [[68, 361]] 1.0 4an2 STE_MAP2K1_HUMAN STE 1.7e-99 338.2 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: EUI (Cobimetinib)

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 4 100.0% 4AN2A
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 MAP2K1 MP2K1_HUMAN 4LMNA Q02750 62 382 393.0 ANP:60501,EUI:60503 ATPlike,Type3 Inactive DFGin 6.1087 13.4073 BLBplus -150.33, -178.45 56.52, 30.25 -84.69, 155.37 45.37, 87.33 -80.58, 74.43 out-out out 15.5596 Saltbr-out 15.7763 HRD-in -60.71, -57.05 86.56, -12.8 out-out-out SNCooo out-out ActLoopNT-out 9.0127 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -106.36, -106.55 APE9-dihe-na -110.69, -4.9 APE8-dihe-out -94.39, -2.53 APE8-rot-out 38.79 APE67-dihe-out -120.37, 128.01 -144.86, 111.2 APE12-dist-out 20.4741 APE11-dist-out 19.7321 APE10-dist-out 22.049 APE9-dist-out 15.3113 None None None XRAY 2.8 0.193 0.233 A 341.0 291.0 30 26 26 0 [[68, 361]] 1.0 4lmn Homo sapiens STE_MAP2K1_HUMAN STE 1.5e-97 331.9 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_HUMAN 7M0VB Q02750 42 383 393.0 ANP:801,EUI:803 ATPlike,Type3 Inactive DFGin 6.0381 13.7379 BLBplus -152.98, 176.74 51.89, 40.05 -97.58, 155.01 48.54, 94.68 -74.32, 76.65 out-out out 15.3562 Saltbr-out 15.2475 HRD-in -53.62, -41.23 79.48, -8.01 out-out-out SNCooo out-out ActLoopNT-out 8.4508 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -59.78, 136.18 APE9-dihe-na -90.07, -164.06 APE8-dihe-out -111.55, -13.91 APE8-rot-out 80.18 APE67-dihe-out -157.27, 123.12 -113.49, 175.2 APE12-dist-out 17.7535 APE11-dist-out 19.5873 APE10-dist-out 21.2162 APE9-dist-out 13.438 S218A,S222A None None XRAY 3.16 0.188 0.234 B 397.0 310.0 32 26 26 0 [[68, 361]] 1.0 7m0v 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_HUMAN 4AN2A Q02750 61 381 393.0 EUI:61382,ACP:61383 Type3,ATPlike Inactive DFGin 6.5059 13.6203 BLBplus -122.79, 178.99 56.84, 40.15 -92.39, 167.6 39.23, 93.66 -89.21, 72.99 out-out out 15.4473 Saltbr-out 15.2762 HRD-in -67.56, -54.42 79.08, -11.1 out-out-out SNCooo out-out ActLoopNT-out 9.0354 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -98.27, 63.09 APE9-dihe-na -45.72, -71.67 APE8-dihe-in -89.8, 67.42 APE8-rot-out 5.41 APE67-dihe-in -66.45, -14.82 -49.39, -42.64 APE12-dist-out 17.4744 APE11-dist-out 16.5588 APE10-dist-out 17.0301 APE9-dist-out 8.7163 S218E,S222E,G328A None None XRAY 2.5 0.215 0.299 A 301.0 279.0 0 26 26 0 [[68, 361]] 1.0 4an2 Homo sapiens STE_MAP2K1_HUMAN STE 1.7e-99 338.2 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 7JUYC P29678 40 382 393.0 ANP:401,EUI:402 ATPlike,Type3 Inactive DFGin 5.8023 13.9446 BLBplus -119.74, 162.94 62.38, 34.15 -75.02, 153.8 53.17, 104.23 -74.72, 81.57 out-out out 15.6895 Saltbr-out 15.7759 HRD-in -78.99, -50.85 75.95, -2.2 out-out-out SNCooo out-out ActLoopNT-out 8.6396 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -134.38, 125.81 APE9-dihe-na -89.68, -160.4 APE8-dihe-out -91.9, -17.82 APE8-rot-out 194.83 APE67-dihe-out -134.16, 130.72 -117.22, 165.02 APE12-dist-out 17.5274 APE11-dist-out 16.8292 APE10-dist-out 20.535 APE9-dist-out 12.5725 None None None XRAY 3.096 0.248 0.257 C 384.0 311.0 32 26 26 0 [[68, 361]] 1.0 7juy 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: EUI (Cobimetinib)

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% 7JUYC
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 MAP2K1 MP2K1_RABIT 7JUYC P29678 40 382 393.0 ANP:401,EUI:402 ATPlike,Type3 Inactive DFGin 5.8023 13.9446 BLBplus -119.74, 162.94 62.38, 34.15 -75.02, 153.8 53.17, 104.23 -74.72, 81.57 out-out out 15.6895 Saltbr-out 15.7759 HRD-in -78.99, -50.85 75.95, -2.2 out-out-out SNCooo out-out ActLoopNT-out 8.6396 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oooo APE10-dihe-na -134.38, 125.81 APE9-dihe-na -89.68, -160.4 APE8-dihe-out -91.9, -17.82 APE8-rot-out 194.83 APE67-dihe-out -134.16, 130.72 -117.22, 165.02 APE12-dist-out 17.5274 APE11-dist-out 16.8292 APE10-dist-out 20.535 APE9-dist-out 12.5725 None None None XRAY 3.096 0.248 0.257 C 384.0 311.0 32 26 26 0 [[68, 361]] 1.0 7juy 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