Ligand: 8V4

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% 5V19B
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 5V19A Q99683 671 939 1374.0 8V4:1000 Type1 Inactive DFGin 6.7708 13.6384 BLAminus -132.57, 160.59 69.04, 95.45 -107.1, 23.8 302.48, 89.72 -68.71, -20.94 in-in in 8.8629 Saltbr-in 2.9383 HRD-in -85.68, -36.78 73.98, -9.49 in-in-out SNCiio in-out ActLoopNT-in 3.3241 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -127.73, 133.17 APE9-dihe-na -80.05, -161.91 APE8-dihe-in -68.3, 136.17 APE8-rot-in 312.97 APE67-dihe-in -77.38, -19.64 -51.76, -48.3 APE12-dist-in 10.9402 APE11-dist-out 5.6499 APE10-dist-out 9.9346 APE9-dist-in 4.1096 None None None XRAY 3.1 0.24 0.285 A 271.0 250.0 19 28 20 8 [[678, 938]] 1.0 5v19 STE_MAP3K5_HUMAN STE 4.4e-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 5V19B Q99683 670 940 1374.0 8V4:1000 Type1 Inactive DFGin 6.938 13.448 BLAminus -112.09, 157.87 57.47, 105.0 -111.04, 30.03 305.07, 81.48 -71.73, -31.06 in-in in 8.5925 Saltbr-in 2.5569 HRD-in -80.87, -49.12 78.13, 3.37 in-in-out SNCiio in-out ActLoopNT-in 3.0419 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -137.42, 143.7 APE9-dihe-na -80.99, -172.63 APE8-dihe-in -58.34, 134.74 APE8-rot-in 315.96 APE67-dihe-in -73.15, -18.54 -59.0, -41.5 APE12-dist-in 11.2498 APE11-dist-out 5.956 APE10-dist-out 9.9729 APE9-dist-in 4.0332 None None None XRAY 3.1 0.24 0.285 B 271.0 260.0 11 28 22 6 [[678, 938]] 1.0 5v19 STE_MAP3K5_HUMAN STE 4.4e-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: 8V4

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% 5V19B
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 5V19A Q99683 671 939 1374.0 8V4:1000 Type1 Inactive DFGin 6.7708 13.6384 BLAminus -132.57, 160.59 69.04, 95.45 -107.1, 23.8 302.48, 89.72 -68.71, -20.94 in-in in 8.8629 Saltbr-in 2.9383 HRD-in -85.68, -36.78 73.98, -9.49 in-in-out SNCiio in-out ActLoopNT-in 3.3241 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -127.73, 133.17 APE9-dihe-na -80.05, -161.91 APE8-dihe-in -68.3, 136.17 APE8-rot-in 312.97 APE67-dihe-in -77.38, -19.64 -51.76, -48.3 APE12-dist-in 10.9402 APE11-dist-out 5.6499 APE10-dist-out 9.9346 APE9-dist-in 4.1096 None None None XRAY 3.1 0.24 0.285 A 271.0 250.0 19 28 20 8 [[678, 938]] 1.0 5v19 Homo sapiens STE_MAP3K5_HUMAN STE 4.4e-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 5V19B Q99683 670 940 1374.0 8V4:1000 Type1 Inactive DFGin 6.938 13.448 BLAminus -112.09, 157.87 57.47, 105.0 -111.04, 30.03 305.07, 81.48 -71.73, -31.06 in-in in 8.5925 Saltbr-in 2.5569 HRD-in -80.87, -49.12 78.13, 3.37 in-in-out SNCiio in-out ActLoopNT-in 3.0419 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -137.42, 143.7 APE9-dihe-na -80.99, -172.63 APE8-dihe-in -58.34, 134.74 APE8-rot-in 315.96 APE67-dihe-in -73.15, -18.54 -59.0, -41.5 APE12-dist-in 11.2498 APE11-dist-out 5.956 APE10-dist-out 9.9729 APE9-dist-in 4.0332 None None None XRAY 3.1 0.24 0.285 B 271.0 260.0 11 28 22 6 [[678, 938]] 1.0 5v19 Homo sapiens STE_MAP3K5_HUMAN STE 4.4e-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: 8V4

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