Ligand: A1LVT

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 8XN7A
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 MAP4K1 M4K1_HUMAN 8XN7A Q92918 6 292 833.0 A1LVT:301 Type1 Inactive DFGout 14.3454 8.5026 BBAminus -88.75, 151.47 -138.7, 126.73 -107.63, 21.41 291.25, 85.46 -71.58, -35.21 out-out out 12.4522 Saltbr-out 9.8213 HRD-in -58.31, -58.38 91.57, -25.59 out-out-out SNCooo out-out ActLoopNT-out 10.8634 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -64.68, -28.8 APE9-dihe-na 70.41, -167.61 APE8-dihe-in -58.65, 130.58 APE8-rot-in 298.7 APE67-dihe-in -73.02, -31.33 -104.12, 4.31 APE12-dist-out 17.7386 APE11-dist-out 17.8864 APE10-dist-out 17.9808 APE9-dist-out 22.5317 T165E,S171E None None XRAY 2.65 0.216 0.23 A 296.0 287.0 0 28 28 0 [[17, 274]] 1.0 8xn7 STE_MAP4K1_HUMAN STE 4.2e-92 314.0 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8XN7B Q92918 6 293 833.0 A1LVT:301 Type1 Inactive DFGout 14.3441 8.4405 BBAminus -88.25, 152.38 -137.37, 125.89 -108.54, 21.47 292.51, 85.61 -69.84, -31.75 out-out out 12.6464 Saltbr-out 9.7837 HRD-in -65.26, -49.86 82.38, -14.29 out-out-out SNCooo out-out ActLoopNT-out 11.2658 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -70.2, -26.89 APE9-dihe-na 72.95, -172.4 APE8-dihe-in -61.15, 131.32 APE8-rot-in 303.09 APE67-dihe-in -73.29, -31.98 -103.73, 3.33 APE12-dist-out 17.7838 APE11-dist-out 16.391 APE10-dist-out 16.978 APE9-dist-out 21.5148 T165E,S171E None None XRAY 2.65 0.216 0.23 B 296.0 288.0 0 28 28 0 [[17, 274]] 1.0 8xn7 STE_MAP4K1_HUMAN STE 4.2e-92 314.0 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: A1LVT

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 8XN7A
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 MAP4K1 M4K1_HUMAN 8XN7A Q92918 6 292 833.0 A1LVT:301 Type1 Inactive DFGout 14.3454 8.5026 BBAminus -88.75, 151.47 -138.7, 126.73 -107.63, 21.41 291.25, 85.46 -71.58, -35.21 out-out out 12.4522 Saltbr-out 9.8213 HRD-in -58.31, -58.38 91.57, -25.59 out-out-out SNCooo out-out ActLoopNT-out 10.8634 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -64.68, -28.8 APE9-dihe-na 70.41, -167.61 APE8-dihe-in -58.65, 130.58 APE8-rot-in 298.7 APE67-dihe-in -73.02, -31.33 -104.12, 4.31 APE12-dist-out 17.7386 APE11-dist-out 17.8864 APE10-dist-out 17.9808 APE9-dist-out 22.5317 T165E,S171E None None XRAY 2.65 0.216 0.23 A 296.0 287.0 0 28 28 0 [[17, 274]] 1.0 8xn7 Homo sapiens STE_MAP4K1_HUMAN STE 4.2e-92 314.0 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 8XN7B Q92918 6 293 833.0 A1LVT:301 Type1 Inactive DFGout 14.3441 8.4405 BBAminus -88.25, 152.38 -137.37, 125.89 -108.54, 21.47 292.51, 85.61 -69.84, -31.75 out-out out 12.6464 Saltbr-out 9.7837 HRD-in -65.26, -49.86 82.38, -14.29 out-out-out SNCooo out-out ActLoopNT-out 11.2658 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -70.2, -26.89 APE9-dihe-na 72.95, -172.4 APE8-dihe-in -61.15, 131.32 APE8-rot-in 303.09 APE67-dihe-in -73.29, -31.98 -103.73, 3.33 APE12-dist-out 17.7838 APE11-dist-out 16.391 APE10-dist-out 16.978 APE9-dist-out 21.5148 T165E,S171E None None XRAY 2.65 0.216 0.23 B 296.0 288.0 0 28 28 0 [[17, 274]] 1.0 8xn7 Homo sapiens STE_MAP4K1_HUMAN STE 4.2e-92 314.0 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: A1LVT

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