Ligand: T1K

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% 7B7RA
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 7B7RA Q02750 37 382 393.0 ANP:60401,T1K:60403 ATPlike,Type3 Inactive DFGin 6.1419 13.1685 BLBplus -135.79, 174.07 60.45, 39.3 -91.52, 155.87 43.71, 91.25 -77.25, 65.03 out-out out 15.2989 Saltbr-out 15.4643 HRD-in -68.45, -57.29 78.52, -6.73 out-out-out SNCooo out-out ActLoopNT-out 8.9351 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -104.92 APE8-dihe-out -68.21, -24.42 APE8-rot-out 184.14 APE67-dihe-out -122.45, 137.43 -138.43, 139.59 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.332 None None None XRAY 1.7 0.195 0.218 A 326.0 297.0 5 26 21 5 [[68, 361]] 1.0 7b7r 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 7B7RB Q02750 39 382 393.0 ANP:60401,T1K:60403 ATPlike,Type3 Inactive DFGin 6.0337 13.1313 BLBplus -135.72, 177.16 59.39, 36.14 -85.12, 154.58 37.29, 94.77 -80.68, 71.22 out-out out 15.2953 Saltbr-out 15.3776 HRD-in -70.94, -55.67 77.08, -4.68 out-out-out SNCooo out-out ActLoopNT-out 8.8997 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -49.75 APE8-rot-out 171.35 APE67-dihe-out -144.02, 141.19 -140.4, 157.37 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.7 0.195 0.218 B 326.0 295.0 5 26 21 5 [[68, 361]] 1.0 7b7r 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: T1K

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% 7B7RA
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 7B7RA Q02750 37 382 393.0 ANP:60401,T1K:60403 ATPlike,Type3 Inactive DFGin 6.1419 13.1685 BLBplus -135.79, 174.07 60.45, 39.3 -91.52, 155.87 43.71, 91.25 -77.25, 65.03 out-out out 15.2989 Saltbr-out 15.4643 HRD-in -68.45, -57.29 78.52, -6.73 out-out-out SNCooo out-out ActLoopNT-out 8.9351 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -104.92 APE8-dihe-out -68.21, -24.42 APE8-rot-out 184.14 APE67-dihe-out -122.45, 137.43 -138.43, 139.59 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.332 None None None XRAY 1.7 0.195 0.218 A 326.0 297.0 5 26 21 5 [[68, 361]] 1.0 7b7r 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 7B7RB Q02750 39 382 393.0 ANP:60401,T1K:60403 ATPlike,Type3 Inactive DFGin 6.0337 13.1313 BLBplus -135.72, 177.16 59.39, 36.14 -85.12, 154.58 37.29, 94.77 -80.68, 71.22 out-out out 15.2953 Saltbr-out 15.3776 HRD-in -70.94, -55.67 77.08, -4.68 out-out-out SNCooo out-out ActLoopNT-out 8.8997 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -49.75 APE8-rot-out 171.35 APE67-dihe-out -144.02, 141.19 -140.4, 157.37 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.7 0.195 0.218 B 326.0 295.0 5 26 21 5 [[68, 361]] 1.0 7b7r 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: T1K

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