Ligand: 9E1

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 5VILA
DFGin None 1 25.0% 5VILC
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 MAP3K5 M3K5_HUMAN 5VILA Q99683 670 940 1374.0 9E1:1001 Type1 Inactive DFGin 6.9331 13.7357 BLAminus -129.43, 176.25 60.35, 85.87 -93.88, 20.78 296.68, 103.23 -63.59, -38.71 in-in in 8.3553 Saltbr-in 2.6877 HRD-in -75.14, -44.27 72.6, -5.11 in-in-out SNCiio in-out ActLoopNT-in 2.8795 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -143.33, 133.88 APE9-dihe-na -70.29, -167.94 APE8-dihe-in -59.8, 126.12 APE8-rot-in 306.7 APE67-dihe-in -62.88, -21.68 -55.02, -48.15 APE12-dist-in 10.9196 APE11-dist-out 5.9484 APE10-dist-out 10.1187 APE9-dist-in 3.8151 None None None XRAY 2.64 0.182 0.213 A 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILB Q99683 670 940 1374.0 9E1:1001 Type1 Inactive DFGin 6.9134 13.6736 BLAminus -121.19, 167.94 68.48, 86.11 -93.27, 20.53 296.7, 102.83 -62.35, -37.98 in-in in 8.3184 Saltbr-in 2.6675 HRD-in -70.92, -45.87 72.04, -5.16 in-in-out SNCiio in-out ActLoopNT-in 2.9006 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.25, 132.0 APE9-dihe-na -63.72, -152.68 APE8-dihe-in -74.74, 128.19 APE8-rot-in 305.46 APE67-dihe-in -63.18, -22.1 -55.97, -47.17 APE12-dist-in 11.0481 APE11-dist-out 5.8668 APE10-dist-out 9.9635 APE9-dist-in 3.7924 None None None XRAY 2.64 0.182 0.213 B 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILD Q99683 670 940 1374.0 9E1:4000 Type1 Inactive DFGin 6.7793 13.6128 BLAminus -128.96, 165.86 71.52, 86.1 -95.58, 18.32 298.51, 100.04 -52.66, -47.62 in-in in 7.9543 Saltbr-in 2.8092 HRD-in -73.79, -44.06 70.88, -5.49 in-in-out SNCiio in-out ActLoopNT-in 2.8947 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.86, 132.52 APE9-dihe-na -65.19, -151.72 APE8-dihe-in -74.93, 128.69 APE8-rot-in 307.23 APE67-dihe-in -63.61, -21.82 -53.86, -49.12 APE12-dist-in 10.4933 APE11-dist-out 5.6727 APE10-dist-out 10.1585 APE9-dist-in 3.8488 None None None XRAY 2.64 0.182 0.213 D 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILC Q99683 670 940 1374.0 9E1:4000 Type1 Inactive DFGin 6.6807 13.6651 None -127.14, -166.22 81.0, -82.49 64.22, -158.94 310.26, 99.86 83.75, -48.04 in-in in 8.3873 Saltbr-in 2.7669 HRD-in -62.04, -44.3 71.5, -5.97 in-in-out SNCiio in-out ActLoopNT-in 3.0012 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -142.26, 132.14 APE9-dihe-na -63.89, -152.16 APE8-dihe-in -75.62, 128.61 APE8-rot-in 305.72 APE67-dihe-in -63.56, -22.05 -54.79, -48.45 APE12-dist-in 10.7945 APE11-dist-out 5.8136 APE10-dist-out 9.964 APE9-dist-in 3.8263 None None None XRAY 2.64 0.182 0.213 C 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5

Ligand: 9E1

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 5VILA
DFGin None 1 25.0% 5VILC
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 MAP3K5 M3K5_HUMAN 5VILA Q99683 670 940 1374.0 9E1:1001 Type1 Inactive DFGin 6.9331 13.7357 BLAminus -129.43, 176.25 60.35, 85.87 -93.88, 20.78 296.68, 103.23 -63.59, -38.71 in-in in 8.3553 Saltbr-in 2.6877 HRD-in -75.14, -44.27 72.6, -5.11 in-in-out SNCiio in-out ActLoopNT-in 2.8795 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -143.33, 133.88 APE9-dihe-na -70.29, -167.94 APE8-dihe-in -59.8, 126.12 APE8-rot-in 306.7 APE67-dihe-in -62.88, -21.68 -55.02, -48.15 APE12-dist-in 10.9196 APE11-dist-out 5.9484 APE10-dist-out 10.1187 APE9-dist-in 3.8151 None None None XRAY 2.64 0.182 0.213 A 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil Homo sapiens STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILB Q99683 670 940 1374.0 9E1:1001 Type1 Inactive DFGin 6.9134 13.6736 BLAminus -121.19, 167.94 68.48, 86.11 -93.27, 20.53 296.7, 102.83 -62.35, -37.98 in-in in 8.3184 Saltbr-in 2.6675 HRD-in -70.92, -45.87 72.04, -5.16 in-in-out SNCiio in-out ActLoopNT-in 2.9006 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.25, 132.0 APE9-dihe-na -63.72, -152.68 APE8-dihe-in -74.74, 128.19 APE8-rot-in 305.46 APE67-dihe-in -63.18, -22.1 -55.97, -47.17 APE12-dist-in 11.0481 APE11-dist-out 5.8668 APE10-dist-out 9.9635 APE9-dist-in 3.7924 None None None XRAY 2.64 0.182 0.213 B 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil Homo sapiens STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILD Q99683 670 940 1374.0 9E1:4000 Type1 Inactive DFGin 6.7793 13.6128 BLAminus -128.96, 165.86 71.52, 86.1 -95.58, 18.32 298.51, 100.04 -52.66, -47.62 in-in in 7.9543 Saltbr-in 2.8092 HRD-in -73.79, -44.06 70.88, -5.49 in-in-out SNCiio in-out ActLoopNT-in 2.8947 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.86, 132.52 APE9-dihe-na -65.19, -151.72 APE8-dihe-in -74.93, 128.69 APE8-rot-in 307.23 APE67-dihe-in -63.61, -21.82 -53.86, -49.12 APE12-dist-in 10.4933 APE11-dist-out 5.6727 APE10-dist-out 10.1585 APE9-dist-in 3.8488 None None None XRAY 2.64 0.182 0.213 D 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil Homo sapiens STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5
STE MAP3K5 M3K5_HUMAN 5VILC Q99683 670 940 1374.0 9E1:4000 Type1 Inactive DFGin 6.6807 13.6651 None -127.14, -166.22 81.0, -82.49 64.22, -158.94 310.26, 99.86 83.75, -48.04 in-in in 8.3873 Saltbr-in 2.7669 HRD-in -62.04, -44.3 71.5, -5.97 in-in-out SNCiio in-out ActLoopNT-in 3.0012 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -142.26, 132.14 APE9-dihe-na -63.89, -152.16 APE8-dihe-in -75.62, 128.61 APE8-rot-in 305.72 APE67-dihe-in -63.56, -22.05 -54.79, -48.45 APE12-dist-in 10.7945 APE11-dist-out 5.8136 APE10-dist-out 9.964 APE9-dist-in 3.8263 None None None XRAY 2.64 0.182 0.213 C 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vil Homo sapiens STE_MAP3K5_HUMAN STE 5.9e-81 277.6 5.0 257.0 253.0 821 822 823 825 827 709 725 729 800 802 801 803.0 863 849 844 843 842 841 840 839 838 755 Mitogen-activated protein kinase kinase kinase 5

Ligand: 9E1

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