Ligand: SU5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 7B3MB
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 7B3MA Q02750 37 382 393.0 ANP:60402,SU5:60403 ATPlike,Type3 Inactive DFGin 6.1258 13.3704 BLBplus -148.65, 168.81 60.69, 38.17 -87.91, 154.07 39.86, 88.52 -71.49, 59.19 out-out out 15.3138 Saltbr-out 14.9939 HRD-in -70.73, -50.42 71.08, -9.53 out-out-out SNCooo out-out ActLoopNT-out 8.9548 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -121.3 APE8-dihe-out -86.65, -7.6 APE8-rot-out 192.68 APE67-dihe-out -130.89, 138.61 -149.99, 133.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6751 None None None XRAY 2.3 0.22 0.268 A 326.0 297.0 5 26 21 5 [[68, 361]] 1.0 7b3m STE_MAP2K1_HUMAN STE 1.7e-98 335.1 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 7B3MB Q02750 37 382 393.0 ANP:60402,SU5:60403 ATPlike,Type3 Inactive DFGin 6.095 13.3497 BLBplus -147.84, 168.76 59.95, 38.27 -86.94, 152.02 37.7, 89.9 -70.97, 59.7 out-out out 15.2643 Saltbr-out 14.844 HRD-in -70.51, -50.26 71.48, -11.7 out-out-out SNCooo out-out ActLoopNT-out 8.913 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -133.25 APE8-dihe-out -83.19, -28.76 APE8-rot-in 262.25 APE67-dihe-out -150.63, 137.62 -127.52, 158.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.0843 None None None XRAY 2.3 0.22 0.268 B 326.0 298.0 4 26 22 4 [[68, 361]] 1.0 7b3m STE_MAP2K1_HUMAN STE 1.7e-98 335.1 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: SU5

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 7B3MB
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 7B3MA Q02750 37 382 393.0 ANP:60402,SU5:60403 ATPlike,Type3 Inactive DFGin 6.1258 13.3704 BLBplus -148.65, 168.81 60.69, 38.17 -87.91, 154.07 39.86, 88.52 -71.49, 59.19 out-out out 15.3138 Saltbr-out 14.9939 HRD-in -70.73, -50.42 71.08, -9.53 out-out-out SNCooo out-out ActLoopNT-out 8.9548 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -121.3 APE8-dihe-out -86.65, -7.6 APE8-rot-out 192.68 APE67-dihe-out -130.89, 138.61 -149.99, 133.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6751 None None None XRAY 2.3 0.22 0.268 A 326.0 297.0 5 26 21 5 [[68, 361]] 1.0 7b3m Homo sapiens STE_MAP2K1_HUMAN STE 1.7e-98 335.1 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 7B3MB Q02750 37 382 393.0 ANP:60402,SU5:60403 ATPlike,Type3 Inactive DFGin 6.095 13.3497 BLBplus -147.84, 168.76 59.95, 38.27 -86.94, 152.02 37.7, 89.9 -70.97, 59.7 out-out out 15.2643 Saltbr-out 14.844 HRD-in -70.51, -50.26 71.48, -11.7 out-out-out SNCooo out-out ActLoopNT-out 8.913 ActLoopCT-out nonTYR APEdihe_aaoio APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -133.25 APE8-dihe-out -83.19, -28.76 APE8-rot-in 262.25 APE67-dihe-out -150.63, 137.62 -127.52, 158.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.0843 None None None XRAY 2.3 0.22 0.268 B 326.0 298.0 4 26 22 4 [[68, 361]] 1.0 7b3m Homo sapiens STE_MAP2K1_HUMAN STE 1.7e-98 335.1 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: SU5

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