Ligand: V3S

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% 6XIHA
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 6XIHA Q99683 671 940 1374.0 V3S:1000 Type1 Inactive DFGin 6.6989 13.9353 BLAminus -124.24, 171.43 62.39, 90.11 -100.17, 18.2 296.55, 92.58 -52.23, -40.83 in-in in 8.3954 Saltbr-in 2.7097 HRD-in -75.25, -49.42 79.66, 5.85 in-in-out SNCiio in-out ActLoopNT-in 3.1756 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -129.36, 154.65 APE9-dihe-na -92.62, -162.28 APE8-dihe-in -70.59, 130.07 APE8-rot-in 331.74 APE67-dihe-in -62.68, -15.95 -64.17, -51.46 APE12-dist-in 10.9559 APE11-dist-out 5.9634 APE10-dist-out 10.0051 APE9-dist-in 3.9309 None None None XRAY 2.65 0.228 0.292 A 295.0 258.0 12 28 20 8 [[678, 938]] 1.0 6xih 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 6XIHB Q99683 671 939 1374.0 V3S:1000 Type1 Inactive DFGin 6.6092 13.6753 BLAminus -132.91, 163.64 66.06, 96.79 -103.4, 13.78 297.24, 111.79 -55.47, -33.38 in-in in 8.6702 Saltbr-in 2.6659 HRD-in -84.49, -53.59 86.87, -13.44 in-in-out SNCiio in-out ActLoopNT-in 2.9085 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 156.58 APE8-dihe-in -52.99, 137.0 APE8-rot-out 62.22 APE67-dihe-in -90.67, 5.14 -61.89, -43.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.1319 None None None XRAY 2.65 0.228 0.292 B 295.0 246.0 23 28 16 12 [[678, 938]] 1.0 6xih 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: V3S

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% 6XIHA
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 6XIHA Q99683 671 940 1374.0 V3S:1000 Type1 Inactive DFGin 6.6989 13.9353 BLAminus -124.24, 171.43 62.39, 90.11 -100.17, 18.2 296.55, 92.58 -52.23, -40.83 in-in in 8.3954 Saltbr-in 2.7097 HRD-in -75.25, -49.42 79.66, 5.85 in-in-out SNCiio in-out ActLoopNT-in 3.1756 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -129.36, 154.65 APE9-dihe-na -92.62, -162.28 APE8-dihe-in -70.59, 130.07 APE8-rot-in 331.74 APE67-dihe-in -62.68, -15.95 -64.17, -51.46 APE12-dist-in 10.9559 APE11-dist-out 5.9634 APE10-dist-out 10.0051 APE9-dist-in 3.9309 None None None XRAY 2.65 0.228 0.292 A 295.0 258.0 12 28 20 8 [[678, 938]] 1.0 6xih 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 6XIHB Q99683 671 939 1374.0 V3S:1000 Type1 Inactive DFGin 6.6092 13.6753 BLAminus -132.91, 163.64 66.06, 96.79 -103.4, 13.78 297.24, 111.79 -55.47, -33.38 in-in in 8.6702 Saltbr-in 2.6659 HRD-in -84.49, -53.59 86.87, -13.44 in-in-out SNCiio in-out ActLoopNT-in 2.9085 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 156.58 APE8-dihe-in -52.99, 137.0 APE8-rot-out 62.22 APE67-dihe-in -90.67, 5.14 -61.89, -43.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.1319 None None None XRAY 2.65 0.228 0.292 B 295.0 246.0 23 28 16 12 [[678, 938]] 1.0 6xih 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: V3S

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