Ligand: Y3O

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8FKOA
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 8FKOA Q92918 4 292 833.0 Y3O:401 Type1 Inactive DFGin 6.6 14.4742 BLAminus -136.74, 175.6 60.99, 80.38 -90.69, 19.24 290.65, 92.45 -58.8, -50.56 in-in in 9.0078 Saltbr-in 2.8646 HRD-in -73.32, -49.99 68.3, 0.65 in-out-out SNCioo out-out ActLoopNT-out 6.1728 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -69.21, -28.97 APE9-dihe-na 81.7, -165.26 APE8-dihe-in -68.43, 130.79 APE8-rot-out 206.57 APE67-dihe-in -61.7, -26.02 -104.74, 4.48 APE12-dist-out 19.3989 APE11-dist-out 20.7784 APE10-dist-out 21.7202 APE9-dist-out 28.1396 T165E,S171E None None XRAY 2.104 0.222 0.258 A 331.0 289.0 0 28 28 0 [[17, 274]] 1.0 8fko STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOB Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7422 14.3619 BLAminus -132.05, 170.07 64.75, 88.13 -97.12, 25.5 288.76, 98.36 -61.57, -55.4 in-in in 9.4138 Saltbr-in 2.741 HRD-in -70.11, -54.58 72.79, -2.56 in-out-out SNCioo out-out ActLoopNT-out 5.8284 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 135.87 APE8-rot-out 50.22 APE67-dihe-in -58.48, -31.01 -101.42, 4.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T165E,S171E None None XRAY 2.104 0.222 0.258 B 331.0 281.0 7 28 21 7 [[17, 274]] 1.0 8fko STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOC Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7748 14.4195 BLAminus -132.55, 171.23 64.29, 81.94 -88.9, 26.84 288.08, 99.44 -65.27, -52.46 in-in in 8.6647 Saltbr-in 2.9109 HRD-in -74.45, -54.73 70.38, 2.95 in-out-out SNCioo out-out ActLoopNT-out 6.2284 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.61, -32.11 APE9-dihe-na 79.88, -174.37 APE8-dihe-in -60.81, 133.78 APE8-rot-out 52.53 APE67-dihe-in -64.71, -25.08 -101.63, 4.73 APE12-dist-out 19.4793 APE11-dist-out 20.5398 APE10-dist-out 21.9199 APE9-dist-out 28.3333 T165E,S171E None None XRAY 2.104 0.222 0.258 C 331.0 288.0 0 28 28 0 [[17, 274]] 1.0 8fko STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOD Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7092 14.6779 BLAminus -131.09, 178.78 56.35, 80.98 -89.1, 26.55 286.22, 90.67 -64.13, -49.82 in-in in 8.9647 Saltbr-in 2.747 HRD-in -66.34, -52.49 71.26, -7.01 in-out-out SNCioo out-out ActLoopNT-out 6.2059 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -158.42 APE8-dihe-in -63.3, 145.09 APE8-rot-out 69.9 APE67-dihe-in -64.17, -28.12 -107.51, 10.13 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 28.2504 T165E,S171E None None XRAY 2.104 0.222 0.258 D 331.0 279.0 9 28 23 5 [[17, 274]] 1.0 8fko STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOE Q92918 9 292 833.0 Y3O:401 Type1 Inactive DFGin 6.435 14.0854 BLAminus -135.28, 164.55 67.79, 89.79 -102.78, 38.26 298.04, 85.81 -76.64, -45.96 in-in in 8.6773 Saltbr-in 2.7355 HRD-in -62.44, -55.25 72.64, 2.07 in-out-out SNCioo out-out ActLoopNT-out 6.141 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -58.79, -42.45 APE9-dihe-na 75.19, -172.93 APE8-dihe-in -61.39, 128.93 APE8-rot-in 302.43 APE67-dihe-in -54.75, -33.19 -95.27, -10.5 APE12-dist-out 19.3426 APE11-dist-out 20.4546 APE10-dist-out 21.9551 APE9-dist-out 28.1149 T165E,S171E None None XRAY 2.104 0.222 0.258 E 331.0 271.0 13 28 28 0 [[17, 274]] 1.0 8fko STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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: Y3O

Total number of chains: 5
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 100.0% 8FKOA
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 8FKOA Q92918 4 292 833.0 Y3O:401 Type1 Inactive DFGin 6.6 14.4742 BLAminus -136.74, 175.6 60.99, 80.38 -90.69, 19.24 290.65, 92.45 -58.8, -50.56 in-in in 9.0078 Saltbr-in 2.8646 HRD-in -73.32, -49.99 68.3, 0.65 in-out-out SNCioo out-out ActLoopNT-out 6.1728 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -69.21, -28.97 APE9-dihe-na 81.7, -165.26 APE8-dihe-in -68.43, 130.79 APE8-rot-out 206.57 APE67-dihe-in -61.7, -26.02 -104.74, 4.48 APE12-dist-out 19.3989 APE11-dist-out 20.7784 APE10-dist-out 21.7202 APE9-dist-out 28.1396 T165E,S171E None None XRAY 2.104 0.222 0.258 A 331.0 289.0 0 28 28 0 [[17, 274]] 1.0 8fko Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOB Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7422 14.3619 BLAminus -132.05, 170.07 64.75, 88.13 -97.12, 25.5 288.76, 98.36 -61.57, -55.4 in-in in 9.4138 Saltbr-in 2.741 HRD-in -70.11, -54.58 72.79, -2.56 in-out-out SNCioo out-out ActLoopNT-out 5.8284 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 135.87 APE8-rot-out 50.22 APE67-dihe-in -58.48, -31.01 -101.42, 4.36 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 T165E,S171E None None XRAY 2.104 0.222 0.258 B 331.0 281.0 7 28 21 7 [[17, 274]] 1.0 8fko Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOC Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7748 14.4195 BLAminus -132.55, 171.23 64.29, 81.94 -88.9, 26.84 288.08, 99.44 -65.27, -52.46 in-in in 8.6647 Saltbr-in 2.9109 HRD-in -74.45, -54.73 70.38, 2.95 in-out-out SNCioo out-out ActLoopNT-out 6.2284 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -67.61, -32.11 APE9-dihe-na 79.88, -174.37 APE8-dihe-in -60.81, 133.78 APE8-rot-out 52.53 APE67-dihe-in -64.71, -25.08 -101.63, 4.73 APE12-dist-out 19.4793 APE11-dist-out 20.5398 APE10-dist-out 21.9199 APE9-dist-out 28.3333 T165E,S171E None None XRAY 2.104 0.222 0.258 C 331.0 288.0 0 28 28 0 [[17, 274]] 1.0 8fko Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOD Q92918 5 292 833.0 Y3O:401 Type1 Inactive DFGin 6.7092 14.6779 BLAminus -131.09, 178.78 56.35, 80.98 -89.1, 26.55 286.22, 90.67 -64.13, -49.82 in-in in 8.9647 Saltbr-in 2.747 HRD-in -66.34, -52.49 71.26, -7.01 in-out-out SNCioo out-out ActLoopNT-out 6.2059 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -158.42 APE8-dihe-in -63.3, 145.09 APE8-rot-out 69.9 APE67-dihe-in -64.17, -28.12 -107.51, 10.13 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 28.2504 T165E,S171E None None XRAY 2.104 0.222 0.258 D 331.0 279.0 9 28 23 5 [[17, 274]] 1.0 8fko Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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 8FKOE Q92918 9 292 833.0 Y3O:401 Type1 Inactive DFGin 6.435 14.0854 BLAminus -135.28, 164.55 67.79, 89.79 -102.78, 38.26 298.04, 85.81 -76.64, -45.96 in-in in 8.6773 Saltbr-in 2.7355 HRD-in -62.44, -55.25 72.64, 2.07 in-out-out SNCioo out-out ActLoopNT-out 6.141 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -58.79, -42.45 APE9-dihe-na 75.19, -172.93 APE8-dihe-in -61.39, 128.93 APE8-rot-in 302.43 APE67-dihe-in -54.75, -33.19 -95.27, -10.5 APE12-dist-out 19.3426 APE11-dist-out 20.4546 APE10-dist-out 21.9551 APE9-dist-out 28.1149 T165E,S171E None None XRAY 2.104 0.222 0.258 E 331.0 271.0 13 28 28 0 [[17, 274]] 1.0 8fko Homo sapiens STE_MAP4K1_HUMAN STE 6.2e-92 313.5 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: Y3O

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