Ligand: 9E4

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5VIOA
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 5VIOA Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.9626 13.8567 BLAminus -120.46, 173.33 58.3, 94.09 -102.99, 24.25 296.09, 98.08 -66.08, -35.82 in-in in 8.4143 Saltbr-in 2.7453 HRD-in -74.97, -41.99 72.76, -8.55 in-in-out SNCiio in-out ActLoopNT-in 2.8244 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -143.49, 136.16 APE9-dihe-na -74.12, -165.55 APE8-dihe-in -61.09, 127.54 APE8-rot-in 313.48 APE67-dihe-in -63.75, -24.16 -54.98, -45.49 APE12-dist-in 10.763 APE11-dist-out 5.9148 APE10-dist-out 9.9678 APE9-dist-in 3.9136 None None None XRAY 2.84 0.181 0.216 A 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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 5VIOB Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.7974 13.6863 BLAminus -122.07, 170.59 66.33, 91.8 -101.04, 21.2 296.32, 98.87 -63.35, -42.36 in-in in 8.3071 Saltbr-in 2.7358 HRD-in -72.93, -48.35 79.14, -10.27 in-in-out SNCiio in-out ActLoopNT-in 2.7864 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -138.69, 137.19 APE9-dihe-na -68.58, -161.75 APE8-dihe-in -67.24, 126.86 APE8-rot-in 310.59 APE67-dihe-in -63.64, -24.3 -54.0, -45.67 APE12-dist-in 10.9974 APE11-dist-out 5.7393 APE10-dist-out 9.8129 APE9-dist-in 3.9218 None None None XRAY 2.84 0.181 0.216 B 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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 5VIOD Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.7289 13.751 BLAminus -125.66, 172.5 64.37, 91.94 -102.27, 19.02 296.92, 97.46 -79.31, 7.01 in-in in 8.464 Saltbr-in 2.7942 HRD-in -62.69, -41.35 70.75, -12.73 in-in-out SNCiio in-out ActLoopNT-in 3.0305 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -145.74, 135.42 APE9-dihe-na -73.58, -160.05 APE8-dihe-in -65.52, 127.14 APE8-rot-in 313.58 APE67-dihe-in -64.57, -23.44 -53.04, -46.36 APE12-dist-in 11.1159 APE11-dist-out 5.8382 APE10-dist-out 9.6919 APE9-dist-in 4.01 None None None XRAY 2.84 0.181 0.216 D 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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: 9E4

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5VIOA
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 5VIOA Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.9626 13.8567 BLAminus -120.46, 173.33 58.3, 94.09 -102.99, 24.25 296.09, 98.08 -66.08, -35.82 in-in in 8.4143 Saltbr-in 2.7453 HRD-in -74.97, -41.99 72.76, -8.55 in-in-out SNCiio in-out ActLoopNT-in 2.8244 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -143.49, 136.16 APE9-dihe-na -74.12, -165.55 APE8-dihe-in -61.09, 127.54 APE8-rot-in 313.48 APE67-dihe-in -63.75, -24.16 -54.98, -45.49 APE12-dist-in 10.763 APE11-dist-out 5.9148 APE10-dist-out 9.9678 APE9-dist-in 3.9136 None None None XRAY 2.84 0.181 0.216 A 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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 5VIOB Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.7974 13.6863 BLAminus -122.07, 170.59 66.33, 91.8 -101.04, 21.2 296.32, 98.87 -63.35, -42.36 in-in in 8.3071 Saltbr-in 2.7358 HRD-in -72.93, -48.35 79.14, -10.27 in-in-out SNCiio in-out ActLoopNT-in 2.7864 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -138.69, 137.19 APE9-dihe-na -68.58, -161.75 APE8-dihe-in -67.24, 126.86 APE8-rot-in 310.59 APE67-dihe-in -63.64, -24.3 -54.0, -45.67 APE12-dist-in 10.9974 APE11-dist-out 5.7393 APE10-dist-out 9.8129 APE9-dist-in 3.9218 None None None XRAY 2.84 0.181 0.216 B 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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 5VIOD Q99683 670 940 1374.0 9E4:4000 Type1 Inactive DFGin 6.7289 13.751 BLAminus -125.66, 172.5 64.37, 91.94 -102.27, 19.02 296.92, 97.46 -79.31, 7.01 in-in in 8.464 Saltbr-in 2.7942 HRD-in -62.69, -41.35 70.75, -12.73 in-in-out SNCiio in-out ActLoopNT-in 3.0305 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -145.74, 135.42 APE9-dihe-na -73.58, -160.05 APE8-dihe-in -65.52, 127.14 APE8-rot-in 313.58 APE67-dihe-in -64.57, -23.44 -53.04, -46.36 APE12-dist-in 11.1159 APE11-dist-out 5.8382 APE10-dist-out 9.6919 APE9-dist-in 4.01 None None None XRAY 2.84 0.181 0.216 D 293.0 271.0 0 28 28 0 [[678, 938]] 1.0 5vio 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: 9E4

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