Ligand: S0L

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6E2OA
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 6E2OA Q99683 670 939 1374.0 S0L:1001 Type1 Active DFGin 6.4268 13.7522 BLAminus -130.19, 177.71 63.47, 88.15 -96.82, 15.0 292.86, 87.16 -66.71, -13.24 in-in in 8.4169 Saltbr-in 2.331 HRD-in -77.39, -52.31 81.18, -9.05 in-in-in SNCiii in-in ActLoopNT-in 3.0432 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.07, 124.52 APE9-dihe-na 152.3, -162.8 APE8-dihe-in -101.88, 129.38 APE8-rot-in 311.55 APE67-dihe-in -83.05, -5.3 -45.17, -51.3 APE12-dist-in 8.9719 APE11-dist-in 11.3358 APE10-dist-in 5.6362 APE9-dist-in 3.6307 None TPO838 TPO838 XRAY 2.389 0.217 0.268 A 295.0 264.0 6 28 24 4 [[678, 938]] 1.0 6e2o STE_MAP3K5_HUMAN STE 6.1e-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 6E2OB Q99683 671 939 1374.0 S0L:1001 Type1 Inactive DFGin 6.4546 14.0131 BLAminus -123.87, 176.77 53.57, 98.76 -104.53, 24.03 295.0, 85.92 -63.99, -37.99 in-in in 8.4984 Saltbr-in 2.2373 HRD-in -70.67, -52.1 75.95, 3.25 in-in-out SNCiio in-out ActLoopNT-in 3.0617 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 132.02 APE9-dihe-na -86.03, -126.81 APE8-dihe-in -106.63, 130.74 APE8-rot-in 293.08 APE67-dihe-in -80.88, 1.52 -56.21, -44.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6102 APE9-dist-in 3.5854 None TPO838 TPO838 XRAY 2.389 0.217 0.268 B 295.0 250.0 19 28 18 10 [[678, 938]] 1.0 6e2o STE_MAP3K5_HUMAN STE 6.1e-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: S0L

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6E2OA
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 6E2OA Q99683 670 939 1374.0 S0L:1001 Type1 Active DFGin 6.4268 13.7522 BLAminus -130.19, 177.71 63.47, 88.15 -96.82, 15.0 292.86, 87.16 -66.71, -13.24 in-in in 8.4169 Saltbr-in 2.331 HRD-in -77.39, -52.31 81.18, -9.05 in-in-in SNCiii in-in ActLoopNT-in 3.0432 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.07, 124.52 APE9-dihe-na 152.3, -162.8 APE8-dihe-in -101.88, 129.38 APE8-rot-in 311.55 APE67-dihe-in -83.05, -5.3 -45.17, -51.3 APE12-dist-in 8.9719 APE11-dist-in 11.3358 APE10-dist-in 5.6362 APE9-dist-in 3.6307 None TPO838 TPO838 XRAY 2.389 0.217 0.268 A 295.0 264.0 6 28 24 4 [[678, 938]] 1.0 6e2o Homo sapiens STE_MAP3K5_HUMAN STE 6.1e-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 6E2OB Q99683 671 939 1374.0 S0L:1001 Type1 Inactive DFGin 6.4546 14.0131 BLAminus -123.87, 176.77 53.57, 98.76 -104.53, 24.03 295.0, 85.92 -63.99, -37.99 in-in in 8.4984 Saltbr-in 2.2373 HRD-in -70.67, -52.1 75.95, 3.25 in-in-out SNCiio in-out ActLoopNT-in 3.0617 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 132.02 APE9-dihe-na -86.03, -126.81 APE8-dihe-in -106.63, 130.74 APE8-rot-in 293.08 APE67-dihe-in -80.88, 1.52 -56.21, -44.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6102 APE9-dist-in 3.5854 None TPO838 TPO838 XRAY 2.389 0.217 0.268 B 295.0 250.0 19 28 18 10 [[678, 938]] 1.0 6e2o Homo sapiens STE_MAP3K5_HUMAN STE 6.1e-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: S0L

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