Ligand: F97

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 7R9NA
DFGin None 1 20.0% 6CQFA
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 7R9NA Q92918 3 293 833.0 F97:301 Type1 Inactive DFGin 6.1751 14.5855 BLAminus -146.44, -171.42 55.37, 74.43 -87.26, 17.26 286.52, 100.62 -61.54, -42.57 in-in in 9.0991 Saltbr-in 2.9899 HRD-in -72.69, -47.96 70.45, -0.15 in-out-out SNCioo out-out ActLoopNT-out 6.3689 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.78, -25.66 APE9-dihe-na 77.38, -176.25 APE8-dihe-in -64.1, 139.12 APE8-rot-out 194.57 APE67-dihe-in -67.3, -23.81 -101.42, -2.74 APE12-dist-out 19.3765 APE11-dist-out 20.8627 APE10-dist-out 21.7382 APE9-dist-out 27.6837 None None None XRAY 1.5 0.167 0.191 A 297.0 291.0 0 28 28 0 [[17, 274]] 1.0 7r9n 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 7R9NB Q92918 4 293 833.0 F97:301 Type1 Inactive DFGin 6.2664 15.3214 BLAminus -146.02, -177.22 55.93, 75.65 -90.22, 21.38 287.95, 88.23 -62.82, -41.47 in-out in 9.7594 Saltbr-out 4.1016 HRD-in -72.45, -53.71 75.68, -0.26 out-out-out SNCooo out-out ActLoopNT-out 6.1361 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.8, -25.67 APE9-dihe-na 74.93, -177.44 APE8-dihe-in -63.0, 140.67 APE8-rot-out 196.08 APE67-dihe-in -68.28, -21.9 -101.8, -0.97 APE12-dist-out 19.3166 APE11-dist-out 20.9263 APE10-dist-out 21.7591 APE9-dist-out 27.6014 None None None XRAY 1.5 0.167 0.191 B 297.0 286.0 4 28 28 0 [[17, 274]] 1.0 7r9n 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 9NC2A Q92918 3 292 833.0 F97:301 Type1 Inactive DFGin 6.1691 14.5603 BLAminus -146.03, -172.66 54.61, 75.11 -87.07, 18.0 287.4, 99.86 -60.8, -42.16 in-in in 9.0771 Saltbr-in 3.0839 HRD-in -71.62, -49.35 69.24, 2.43 in-out-out SNCioo out-out ActLoopNT-out 6.3647 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.88, -25.86 APE9-dihe-na 79.92, -176.93 APE8-dihe-in -63.28, 137.33 APE8-rot-out 195.9 APE67-dihe-in -69.31, -23.4 -99.38, -2.77 APE12-dist-out 19.3648 APE11-dist-out 20.8695 APE10-dist-out 21.6972 APE9-dist-out 27.6626 T165E,S171E None None XRAY 1.5 0.159 0.182 A 311.0 290.0 0 28 28 0 [[17, 274]] 1.0 9nc2 STE_MAP4K1_HUMAN STE 5e-92 313.8 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 9NC2B Q92918 4 293 833.0 F97:301 Type1 Inactive DFGin 6.2192 15.3215 BLAminus -146.56, -178.89 56.97, 76.11 -90.84, 22.27 287.71, 91.06 -63.05, -41.66 in-out in 9.7402 Saltbr-out 4.0801 HRD-in -71.95, -49.68 67.73, 5.0 out-out-out SNCooo out-out ActLoopNT-out 6.1071 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -65.85, -26.59 APE9-dihe-na 76.68, -178.01 APE8-dihe-in -63.02, 140.61 APE8-rot-out 197.6 APE67-dihe-in -68.97, -20.58 -101.56, -1.68 APE12-dist-out 19.2885 APE11-dist-out 20.8191 APE10-dist-out 21.7194 APE9-dist-out 27.4837 T165E,S171E None None XRAY 1.5 0.159 0.182 B 311.0 283.0 7 28 28 0 [[17, 274]] 1.0 9nc2 STE_MAP4K1_HUMAN STE 5e-92 313.8 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 6CQFA Q92918 6 293 833.0 F97:301 Type1 Inactive DFGin 4.9382 15.0175 None -68.84, 171.73 -65.96, 157.38 -148.76, 145.95 51.62, 92.75 82.89, -6.34 out-out out 12.9477 Saltbr-out 11.4708 HRD-in -70.81, -45.95 79.09, -18.39 out-out-out SNCooo out-out ActLoopNT-out 10.2868 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na 52.73, 67.51 APE9-dihe-na 130.19, -174.52 APE8-dihe-in -127.23, 115.01 APE8-rot-in 316.68 APE67-dihe-in -61.16, -24.43 -41.69, -51.15 APE12-dist-out 15.3177 APE11-dist-out 16.6482 APE10-dist-out 20.6876 APE9-dist-out 21.3856 None None None XRAY 2.246 0.21 0.255 A 297.0 282.0 6 28 22 6 [[17, 274]] 1.0 6cqf STE_MAP4K1_HUMAN STE 4e-92 314.1 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: F97

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 7R9NA
DFGin None 1 20.0% 6CQFA
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 7R9NA Q92918 3 293 833.0 F97:301 Type1 Inactive DFGin 6.1751 14.5855 BLAminus -146.44, -171.42 55.37, 74.43 -87.26, 17.26 286.52, 100.62 -61.54, -42.57 in-in in 9.0991 Saltbr-in 2.9899 HRD-in -72.69, -47.96 70.45, -0.15 in-out-out SNCioo out-out ActLoopNT-out 6.3689 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.78, -25.66 APE9-dihe-na 77.38, -176.25 APE8-dihe-in -64.1, 139.12 APE8-rot-out 194.57 APE67-dihe-in -67.3, -23.81 -101.42, -2.74 APE12-dist-out 19.3765 APE11-dist-out 20.8627 APE10-dist-out 21.7382 APE9-dist-out 27.6837 None None None XRAY 1.5 0.167 0.191 A 297.0 291.0 0 28 28 0 [[17, 274]] 1.0 7r9n 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 7R9NB Q92918 4 293 833.0 F97:301 Type1 Inactive DFGin 6.2664 15.3214 BLAminus -146.02, -177.22 55.93, 75.65 -90.22, 21.38 287.95, 88.23 -62.82, -41.47 in-out in 9.7594 Saltbr-out 4.1016 HRD-in -72.45, -53.71 75.68, -0.26 out-out-out SNCooo out-out ActLoopNT-out 6.1361 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.8, -25.67 APE9-dihe-na 74.93, -177.44 APE8-dihe-in -63.0, 140.67 APE8-rot-out 196.08 APE67-dihe-in -68.28, -21.9 -101.8, -0.97 APE12-dist-out 19.3166 APE11-dist-out 20.9263 APE10-dist-out 21.7591 APE9-dist-out 27.6014 None None None XRAY 1.5 0.167 0.191 B 297.0 286.0 4 28 28 0 [[17, 274]] 1.0 7r9n 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 9NC2A Q92918 3 292 833.0 F97:301 Type1 Inactive DFGin 6.1691 14.5603 BLAminus -146.03, -172.66 54.61, 75.11 -87.07, 18.0 287.4, 99.86 -60.8, -42.16 in-in in 9.0771 Saltbr-in 3.0839 HRD-in -71.62, -49.35 69.24, 2.43 in-out-out SNCioo out-out ActLoopNT-out 6.3647 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.88, -25.86 APE9-dihe-na 79.92, -176.93 APE8-dihe-in -63.28, 137.33 APE8-rot-out 195.9 APE67-dihe-in -69.31, -23.4 -99.38, -2.77 APE12-dist-out 19.3648 APE11-dist-out 20.8695 APE10-dist-out 21.6972 APE9-dist-out 27.6626 T165E,S171E None None XRAY 1.5 0.159 0.182 A 311.0 290.0 0 28 28 0 [[17, 274]] 1.0 9nc2 Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 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 9NC2B Q92918 4 293 833.0 F97:301 Type1 Inactive DFGin 6.2192 15.3215 BLAminus -146.56, -178.89 56.97, 76.11 -90.84, 22.27 287.71, 91.06 -63.05, -41.66 in-out in 9.7402 Saltbr-out 4.0801 HRD-in -71.95, -49.68 67.73, 5.0 out-out-out SNCooo out-out ActLoopNT-out 6.1071 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -65.85, -26.59 APE9-dihe-na 76.68, -178.01 APE8-dihe-in -63.02, 140.61 APE8-rot-out 197.6 APE67-dihe-in -68.97, -20.58 -101.56, -1.68 APE12-dist-out 19.2885 APE11-dist-out 20.8191 APE10-dist-out 21.7194 APE9-dist-out 27.4837 T165E,S171E None None XRAY 1.5 0.159 0.182 B 311.0 283.0 7 28 28 0 [[17, 274]] 1.0 9nc2 Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 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 6CQFA Q92918 6 293 833.0 F97:301 Type1 Inactive DFGin 4.9382 15.0175 None -68.84, 171.73 -65.96, 157.38 -148.76, 145.95 51.62, 92.75 82.89, -6.34 out-out out 12.9477 Saltbr-out 11.4708 HRD-in -70.81, -45.95 79.09, -18.39 out-out-out SNCooo out-out ActLoopNT-out 10.2868 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na 52.73, 67.51 APE9-dihe-na 130.19, -174.52 APE8-dihe-in -127.23, 115.01 APE8-rot-in 316.68 APE67-dihe-in -61.16, -24.43 -41.69, -51.15 APE12-dist-out 15.3177 APE11-dist-out 16.6482 APE10-dist-out 20.6876 APE9-dist-out 21.3856 None None None XRAY 2.246 0.21 0.255 A 297.0 282.0 6 28 22 6 [[17, 274]] 1.0 6cqf Homo sapiens STE_MAP4K1_HUMAN STE 4e-92 314.1 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: F97

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