Ligand: IEO

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% 4BIBB
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 4BIBA Q99683 670 939 1374.0 IEO:1940 Type1 Inactive DFGin 6.8902 13.6849 BLAminus -101.96, 171.68 56.63, 96.52 -108.09, 9.31 305.46, 105.24 -97.03, 34.5 out-out out 10.3276 Saltbr-out 7.9197 HRD-in -62.68, -55.31 79.51, -12.34 out-in-out SNCoio in-out ActLoopNT-in 3.0502 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -124.73, 130.88 APE9-dihe-na -70.59, -168.47 APE8-dihe-in -67.53, 132.39 APE8-rot-in 314.8 APE67-dihe-in -64.88, -13.63 -56.67, -50.04 APE12-dist-in 10.4658 APE11-dist-out 5.0991 APE10-dist-out 9.6734 APE9-dist-in 3.4478 T838E None None XRAY 2.43 0.203 0.239 A 318.0 254.0 16 28 20 8 [[678, 938]] 1.0 4bib STE_MAP3K5_HUMAN STE 1.6e-80 276.2 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 4BIBB Q99683 670 940 1374.0 IEO:1941 Type1 Inactive DFGin 6.8306 14.0764 BLAminus -122.95, 179.25 61.68, 85.04 -100.41, 15.31 300.43, 103.7 -75.4, -20.2 in-out in 9.3155 Saltbr-out 3.8684 HRD-in -65.57, -43.92 69.2, -4.11 out-in-out SNCoio in-out ActLoopNT-in 2.9368 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -130.37, 121.6 APE9-dihe-na -77.09, -118.37 APE8-dihe-in -118.52, 124.53 APE8-rot-in 308.41 APE67-dihe-in -63.49, -22.1 -41.53, -59.58 APE12-dist-none 999.0 APE11-dist-out 6.7167 APE10-dist-out 9.9945 APE9-dist-in 3.7179 T838E None None XRAY 2.43 0.203 0.239 B 318.0 258.0 13 28 19 9 [[678, 938]] 1.0 4bib STE_MAP3K5_HUMAN STE 1.6e-80 276.2 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: IEO

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% 4BIBB
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 4BIBA Q99683 670 939 1374.0 IEO:1940 Type1 Inactive DFGin 6.8902 13.6849 BLAminus -101.96, 171.68 56.63, 96.52 -108.09, 9.31 305.46, 105.24 -97.03, 34.5 out-out out 10.3276 Saltbr-out 7.9197 HRD-in -62.68, -55.31 79.51, -12.34 out-in-out SNCoio in-out ActLoopNT-in 3.0502 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -124.73, 130.88 APE9-dihe-na -70.59, -168.47 APE8-dihe-in -67.53, 132.39 APE8-rot-in 314.8 APE67-dihe-in -64.88, -13.63 -56.67, -50.04 APE12-dist-in 10.4658 APE11-dist-out 5.0991 APE10-dist-out 9.6734 APE9-dist-in 3.4478 T838E None None XRAY 2.43 0.203 0.239 A 318.0 254.0 16 28 20 8 [[678, 938]] 1.0 4bib Homo sapiens STE_MAP3K5_HUMAN STE 1.6e-80 276.2 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 4BIBB Q99683 670 940 1374.0 IEO:1941 Type1 Inactive DFGin 6.8306 14.0764 BLAminus -122.95, 179.25 61.68, 85.04 -100.41, 15.31 300.43, 103.7 -75.4, -20.2 in-out in 9.3155 Saltbr-out 3.8684 HRD-in -65.57, -43.92 69.2, -4.11 out-in-out SNCoio in-out ActLoopNT-in 2.9368 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -130.37, 121.6 APE9-dihe-na -77.09, -118.37 APE8-dihe-in -118.52, 124.53 APE8-rot-in 308.41 APE67-dihe-in -63.49, -22.1 -41.53, -59.58 APE12-dist-none 999.0 APE11-dist-out 6.7167 APE10-dist-out 9.9945 APE9-dist-in 3.7179 T838E None None XRAY 2.43 0.203 0.239 B 318.0 258.0 13 28 19 9 [[678, 938]] 1.0 4bib Homo sapiens STE_MAP3K5_HUMAN STE 1.6e-80 276.2 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: IEO

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