Ligand: BH9

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% 4BHNB
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 4BHNA Q99683 670 940 1374.0 BH9:1 Type1 Inactive DFGin 6.6407 13.4191 BLAminus -116.15, 170.7 61.91, 107.63 -114.13, 14.36 294.82, 100.14 -70.55, -20.89 in-in in 8.6101 Saltbr-in 2.8016 HRD-in -66.8, -54.62 82.11, -4.15 in-in-out SNCiio in-out ActLoopNT-in 3.2442 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -131.48, 131.86 APE9-dihe-na -68.23, -173.64 APE8-dihe-in -65.87, 129.94 APE8-rot-in 307.79 APE67-dihe-in -62.92, -9.87 -53.4, -53.13 APE12-dist-in 10.0334 APE11-dist-out 5.1398 APE10-dist-out 9.6188 APE9-dist-in 3.4413 T838E None None XRAY 2.3 0.197 0.235 A 334.0 256.0 15 28 20 8 [[678, 938]] 1.0 4bhn STE_MAP3K5_HUMAN STE 1.9e-80 276.0 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 4BHNB Q99683 670 938 1374.0 BH9:1 Type1 Inactive DFGin 6.6626 13.5513 BLAminus -127.02, 174.96 58.51, 91.28 -97.83, 21.74 301.12, 94.31 -63.02, -40.41 in-in in 8.4592 Saltbr-in 2.595 HRD-in -66.57, -49.23 72.07, 1.38 in-in-out SNCiio in-out ActLoopNT-in 2.9833 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -134.18, 113.64 APE9-dihe-na -75.96, -135.55 APE8-dihe-in -93.54, 117.0 APE8-rot-in 314.59 APE67-dihe-in -59.83, -23.07 -45.36, -57.56 APE12-dist-none 999.0 APE11-dist-out 6.948 APE10-dist-out 10.2291 APE9-dist-in 4.2489 T838E None None XRAY 2.3 0.197 0.235 B 334.0 257.0 12 28 20 8 [[678, 938]] 1.0 4bhn STE_MAP3K5_HUMAN STE 1.9e-80 276.0 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: BH9

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% 4BHNB
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 4BHNA Q99683 670 940 1374.0 BH9:1 Type1 Inactive DFGin 6.6407 13.4191 BLAminus -116.15, 170.7 61.91, 107.63 -114.13, 14.36 294.82, 100.14 -70.55, -20.89 in-in in 8.6101 Saltbr-in 2.8016 HRD-in -66.8, -54.62 82.11, -4.15 in-in-out SNCiio in-out ActLoopNT-in 3.2442 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -131.48, 131.86 APE9-dihe-na -68.23, -173.64 APE8-dihe-in -65.87, 129.94 APE8-rot-in 307.79 APE67-dihe-in -62.92, -9.87 -53.4, -53.13 APE12-dist-in 10.0334 APE11-dist-out 5.1398 APE10-dist-out 9.6188 APE9-dist-in 3.4413 T838E None None XRAY 2.3 0.197 0.235 A 334.0 256.0 15 28 20 8 [[678, 938]] 1.0 4bhn Homo sapiens STE_MAP3K5_HUMAN STE 1.9e-80 276.0 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 4BHNB Q99683 670 938 1374.0 BH9:1 Type1 Inactive DFGin 6.6626 13.5513 BLAminus -127.02, 174.96 58.51, 91.28 -97.83, 21.74 301.12, 94.31 -63.02, -40.41 in-in in 8.4592 Saltbr-in 2.595 HRD-in -66.57, -49.23 72.07, 1.38 in-in-out SNCiio in-out ActLoopNT-in 2.9833 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -134.18, 113.64 APE9-dihe-na -75.96, -135.55 APE8-dihe-in -93.54, 117.0 APE8-rot-in 314.59 APE67-dihe-in -59.83, -23.07 -45.36, -57.56 APE12-dist-none 999.0 APE11-dist-out 6.948 APE10-dist-out 10.2291 APE9-dist-in 4.2489 T838E None None XRAY 2.3 0.197 0.235 B 334.0 257.0 12 28 20 8 [[678, 938]] 1.0 4bhn Homo sapiens STE_MAP3K5_HUMAN STE 1.9e-80 276.0 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: BH9

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