Ligand: A1AWT

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% 7MU6B
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 7MU6A Q99683 671 939 1374.0 A1AWT:1001 Type1 Inactive DFGin 6.8065 13.8099 BLAminus -134.71, 172.36 55.8, 97.35 -103.45, 21.85 298.86, 96.76 -71.3, -26.18 in-in in 8.3355 Saltbr-in 2.5132 HRD-in -80.43, -45.88 78.17, 0.0 in-in-out SNCiio in-out ActLoopNT-in 3.1291 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -110.25, 144.39 APE9-dihe-na -81.83, -163.92 APE8-dihe-in -76.49, 135.89 APE8-rot-in 306.21 APE67-dihe-in -72.49, -10.64 -62.48, -45.91 APE12-dist-in 10.5342 APE11-dist-out 5.1418 APE10-dist-out 9.751 APE9-dist-in 3.6979 None None None XRAY 2.165 0.191 0.214 A 334.0 259.0 10 28 21 7 [[678, 938]] 1.0 7mu6 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 7MU6B Q99683 671 940 1374.0 A1AWT:1001 Type1 None DFGin 6.4723 13.8423 BLAminus -137.24, 175.06 55.73, 97.84 -102.69, 23.8 295.93, 95.1 -68.36, -28.7 in-in in 8.4763 Saltbr-in 2.4413 HRD-in -80.7, -46.25 77.78, 2.33 in-in-none SNCiin in-none ActLoopNT-in 3.0289 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 66.13 APE9-dihe-na -85.74, -166.57 APE8-dihe-in -87.23, 138.03 APE8-rot-in 306.07 APE67-dihe-in -71.64, -12.66 -62.6, -45.27 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.3168 APE9-dist-in 3.3563 None None None XRAY 2.165 0.191 0.214 B 334.0 261.0 9 28 19 9 [[678, 938]] 1.0 7mu6 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: A1AWT

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% 7MU6B
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 7MU6A Q99683 671 939 1374.0 A1AWT:1001 Type1 Inactive DFGin 6.8065 13.8099 BLAminus -134.71, 172.36 55.8, 97.35 -103.45, 21.85 298.86, 96.76 -71.3, -26.18 in-in in 8.3355 Saltbr-in 2.5132 HRD-in -80.43, -45.88 78.17, 0.0 in-in-out SNCiio in-out ActLoopNT-in 3.1291 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -110.25, 144.39 APE9-dihe-na -81.83, -163.92 APE8-dihe-in -76.49, 135.89 APE8-rot-in 306.21 APE67-dihe-in -72.49, -10.64 -62.48, -45.91 APE12-dist-in 10.5342 APE11-dist-out 5.1418 APE10-dist-out 9.751 APE9-dist-in 3.6979 None None None XRAY 2.165 0.191 0.214 A 334.0 259.0 10 28 21 7 [[678, 938]] 1.0 7mu6 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 7MU6B Q99683 671 940 1374.0 A1AWT:1001 Type1 None DFGin 6.4723 13.8423 BLAminus -137.24, 175.06 55.73, 97.84 -102.69, 23.8 295.93, 95.1 -68.36, -28.7 in-in in 8.4763 Saltbr-in 2.4413 HRD-in -80.7, -46.25 77.78, 2.33 in-in-none SNCiin in-none ActLoopNT-in 3.0289 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 66.13 APE9-dihe-na -85.74, -166.57 APE8-dihe-in -87.23, 138.03 APE8-rot-in 306.07 APE67-dihe-in -71.64, -12.66 -62.6, -45.27 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.3168 APE9-dist-in 3.3563 None None None XRAY 2.165 0.191 0.214 B 334.0 261.0 9 28 19 9 [[678, 938]] 1.0 7mu6 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: A1AWT

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