Ligand: 8GS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5UP3A
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 5UP3A Q99683 670 940 1374.0 8GS:1000 Type1 Inactive DFGin 6.5029 13.7457 BLAminus -134.17, 163.34 57.48, 95.37 -105.83, 15.56 294.57, 82.67 -54.1, -37.9 in-in in 8.2524 Saltbr-in 2.7487 HRD-in -77.73, -45.36 66.12, 18.38 in-in-out SNCiio in-out ActLoopNT-in 3.1379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -130.48, 142.85 APE9-dihe-na -72.74, -170.17 APE8-dihe-in -68.28, 136.12 APE8-rot-in 330.15 APE67-dihe-in -69.45, -7.96 -67.67, -44.97 APE12-dist-in 10.8995 APE11-dist-out 5.9446 APE10-dist-out 10.0928 APE9-dist-in 4.099 None None None XRAY 2.95 0.244 0.289 A 271.0 258.0 13 28 20 8 [[678, 938]] 1.0 5up3 STE_MAP3K5_HUMAN STE 4.4e-81 278.0 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 5UP3B Q99683 671 939 1374.0 8GS:1000 Type1 None DFGin 6.4035 13.522 BLAminus -145.21, 155.75 74.64, 95.67 -108.04, 14.34 302.59, 105.08 -64.34, -17.97 in-in in 8.5655 Saltbr-in 2.9103 HRD-in -87.24, -40.99 75.36, -9.84 in-in-none SNCiin in-none ActLoopNT-in 3.023 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 144.91 APE8-dihe-in -57.21, 126.4 APE8-rot-in 314.64 APE67-dihe-in -121.68, -3.36 -59.97, -11.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.4928 None None None XRAY 2.95 0.244 0.289 B 271.0 243.0 26 28 17 11 [[678, 938]] 1.0 5up3 STE_MAP3K5_HUMAN STE 4.4e-81 278.0 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: 8GS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5UP3A
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 5UP3A Q99683 670 940 1374.0 8GS:1000 Type1 Inactive DFGin 6.5029 13.7457 BLAminus -134.17, 163.34 57.48, 95.37 -105.83, 15.56 294.57, 82.67 -54.1, -37.9 in-in in 8.2524 Saltbr-in 2.7487 HRD-in -77.73, -45.36 66.12, 18.38 in-in-out SNCiio in-out ActLoopNT-in 3.1379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -130.48, 142.85 APE9-dihe-na -72.74, -170.17 APE8-dihe-in -68.28, 136.12 APE8-rot-in 330.15 APE67-dihe-in -69.45, -7.96 -67.67, -44.97 APE12-dist-in 10.8995 APE11-dist-out 5.9446 APE10-dist-out 10.0928 APE9-dist-in 4.099 None None None XRAY 2.95 0.244 0.289 A 271.0 258.0 13 28 20 8 [[678, 938]] 1.0 5up3 Homo sapiens STE_MAP3K5_HUMAN STE 4.4e-81 278.0 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 5UP3B Q99683 671 939 1374.0 8GS:1000 Type1 None DFGin 6.4035 13.522 BLAminus -145.21, 155.75 74.64, 95.67 -108.04, 14.34 302.59, 105.08 -64.34, -17.97 in-in in 8.5655 Saltbr-in 2.9103 HRD-in -87.24, -40.99 75.36, -9.84 in-in-none SNCiin in-none ActLoopNT-in 3.023 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 144.91 APE8-dihe-in -57.21, 126.4 APE8-rot-in 314.64 APE67-dihe-in -121.68, -3.36 -59.97, -11.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.4928 None None None XRAY 2.95 0.244 0.289 B 271.0 243.0 26 28 17 11 [[678, 938]] 1.0 5up3 Homo sapiens STE_MAP3K5_HUMAN STE 4.4e-81 278.0 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: 8GS

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