Ligand: IM6

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% 3VW6A
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 3VW6A Q99683 671 939 1374.0 IM6:1001 Type1 Inactive DFGin 6.766 13.6942 BLAminus -134.4, 159.82 63.61, 96.18 -106.08, 19.14 299.77, 93.59 -65.67, -26.71 in-in in 8.3482 Saltbr-in 2.7445 HRD-in -68.63, -53.22 81.29, -1.87 in-in-out SNCiio in-out ActLoopNT-in 2.9981 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.75, 135.33 APE9-dihe-na -74.82, -165.45 APE8-dihe-in -69.97, 129.12 APE8-rot-in 307.72 APE67-dihe-in -79.01, -8.94 -54.17, -44.62 APE12-dist-in 11.5323 APE11-dist-out 5.6095 APE10-dist-out 9.7368 APE9-dist-in 3.7604 None None None XRAY 2.4 0.215 0.252 A 269.0 255.0 14 28 20 8 [[678, 938]] 1.0 3vw6 STE_MAP3K5_HUMAN STE 4.3e-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 3VW6B Q99683 671 939 1374.0 IM6:1001 Type1 Inactive DFGin 6.4733 13.7571 BLAminus -134.33, 172.21 68.61, 93.15 -105.24, 21.46 296.68, 86.91 -65.52, -28.46 in-in in 8.5263 Saltbr-in 2.6284 HRD-in -73.34, -41.76 69.65, 0.5 in-in-out SNCiio in-out ActLoopNT-in 2.951 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 138.85 APE9-dihe-na -88.87, -154.31 APE8-dihe-in -65.66, 132.6 APE8-rot-in 313.09 APE67-dihe-in -73.68, -9.35 -60.99, -45.83 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.3215 APE9-dist-in 4.1409 None None None XRAY 2.4 0.215 0.252 B 269.0 253.0 16 28 18 10 [[678, 938]] 1.0 3vw6 STE_MAP3K5_HUMAN STE 4.3e-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: IM6

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% 3VW6A
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 3VW6A Q99683 671 939 1374.0 IM6:1001 Type1 Inactive DFGin 6.766 13.6942 BLAminus -134.4, 159.82 63.61, 96.18 -106.08, 19.14 299.77, 93.59 -65.67, -26.71 in-in in 8.3482 Saltbr-in 2.7445 HRD-in -68.63, -53.22 81.29, -1.87 in-in-out SNCiio in-out ActLoopNT-in 2.9981 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -141.75, 135.33 APE9-dihe-na -74.82, -165.45 APE8-dihe-in -69.97, 129.12 APE8-rot-in 307.72 APE67-dihe-in -79.01, -8.94 -54.17, -44.62 APE12-dist-in 11.5323 APE11-dist-out 5.6095 APE10-dist-out 9.7368 APE9-dist-in 3.7604 None None None XRAY 2.4 0.215 0.252 A 269.0 255.0 14 28 20 8 [[678, 938]] 1.0 3vw6 Homo sapiens STE_MAP3K5_HUMAN STE 4.3e-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 3VW6B Q99683 671 939 1374.0 IM6:1001 Type1 Inactive DFGin 6.4733 13.7571 BLAminus -134.33, 172.21 68.61, 93.15 -105.24, 21.46 296.68, 86.91 -65.52, -28.46 in-in in 8.5263 Saltbr-in 2.6284 HRD-in -73.34, -41.76 69.65, 0.5 in-in-out SNCiio in-out ActLoopNT-in 2.951 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoi APE10-dihe-na 999.0, 138.85 APE9-dihe-na -88.87, -154.31 APE8-dihe-in -65.66, 132.6 APE8-rot-in 313.09 APE67-dihe-in -73.68, -9.35 -60.99, -45.83 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.3215 APE9-dist-in 4.1409 None None None XRAY 2.4 0.215 0.252 B 269.0 253.0 16 28 18 10 [[678, 938]] 1.0 3vw6 Homo sapiens STE_MAP3K5_HUMAN STE 4.3e-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: IM6

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