Ligand: 13V

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4IDVA
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 MAP3K14 M3K14_HUMAN 4IDVA Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.3826 12.8267 BLAminus -129.24, -176.42 63.44, 58.15 -81.16, 17.96 306.54, 94.36 -59.21, -22.9 in-in in 8.4362 Saltbr-in 2.9471 HRD-in -82.63, -42.79 91.65, -16.87 in-in-out SNCiio in-out ActLoopNT-in 2.8436 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -75.39, 160.43 APE9-dihe-na -73.6, -165.29 APE8-dihe-in -77.32, 130.17 APE8-rot-in 300.0 APE67-dihe-in -67.56, -25.78 -66.04, -38.01 APE12-dist-in 7.3323 APE11-dist-out 6.4353 APE10-dist-out 8.1656 APE9-dist-in 3.4691 None None None XRAY 2.9 0.207 0.269 A 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVB Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.1392 12.6653 BLAminus -149.7, -174.94 52.79, 65.59 -88.41, 31.08 304.98, 100.79 -68.49, -23.25 in-in in 8.6905 Saltbr-in 2.7704 HRD-in -74.16, -58.51 108.87, -27.86 in-in-out SNCiio in-out ActLoopNT-in 2.7856 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -76.23, 178.57 APE9-dihe-na -89.78, -149.85 APE8-dihe-in -74.1, 114.75 APE8-rot-in 292.01 APE67-dihe-in -40.71, -50.09 -40.47, -58.1 APE12-dist-in 7.4252 APE11-dist-out 6.7293 APE10-dist-out 8.0905 APE9-dist-in 3.9061 None None None XRAY 2.9 0.207 0.269 B 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVC Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.4018 12.8215 BLAminus -145.01, -173.65 43.07, 81.6 -93.72, 20.71 302.58, 100.01 -64.62, -22.64 in-in in 8.6307 Saltbr-in 2.7132 HRD-in -70.49, -53.9 97.36, -13.74 in-in-out SNCiio in-out ActLoopNT-in 2.8891 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -92.14, 174.93 APE9-dihe-na -72.95, -157.13 APE8-dihe-in -83.12, 122.22 APE8-rot-in 316.45 APE67-dihe-in -56.53, -35.42 -46.97, -50.29 APE12-dist-in 7.9617 APE11-dist-out 6.4618 APE10-dist-in 7.7853 APE9-dist-in 3.4663 None None None XRAY 2.9 0.207 0.269 C 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVD Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.1851 12.7509 BLAminus -141.26, -170.3 49.15, 75.91 -94.03, 28.92 301.47, 99.94 -74.54, -18.37 in-in in 8.6093 Saltbr-in 2.5469 HRD-in -75.81, -46.16 90.12, -33.57 in-in-out SNCiio in-out ActLoopNT-in 3.0049 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -91.45, -178.53 APE9-dihe-na -88.49, -158.57 APE8-dihe-in -71.6, 115.17 APE8-rot-in 304.36 APE67-dihe-in -51.02, -34.46 -45.71, -54.05 APE12-dist-in 7.3677 APE11-dist-out 7.1788 APE10-dist-in 7.8197 APE9-dist-in 4.0411 None None None XRAY 2.9 0.207 0.269 D 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14

Ligand: 13V

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4IDVA
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 MAP3K14 M3K14_HUMAN 4IDVA Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.3826 12.8267 BLAminus -129.24, -176.42 63.44, 58.15 -81.16, 17.96 306.54, 94.36 -59.21, -22.9 in-in in 8.4362 Saltbr-in 2.9471 HRD-in -82.63, -42.79 91.65, -16.87 in-in-out SNCiio in-out ActLoopNT-in 2.8436 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -75.39, 160.43 APE9-dihe-na -73.6, -165.29 APE8-dihe-in -77.32, 130.17 APE8-rot-in 300.0 APE67-dihe-in -67.56, -25.78 -66.04, -38.01 APE12-dist-in 7.3323 APE11-dist-out 6.4353 APE10-dist-out 8.1656 APE9-dist-in 3.4691 None None None XRAY 2.9 0.207 0.269 A 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv Homo sapiens STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVB Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.1392 12.6653 BLAminus -149.7, -174.94 52.79, 65.59 -88.41, 31.08 304.98, 100.79 -68.49, -23.25 in-in in 8.6905 Saltbr-in 2.7704 HRD-in -74.16, -58.51 108.87, -27.86 in-in-out SNCiio in-out ActLoopNT-in 2.7856 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -76.23, 178.57 APE9-dihe-na -89.78, -149.85 APE8-dihe-in -74.1, 114.75 APE8-rot-in 292.01 APE67-dihe-in -40.71, -50.09 -40.47, -58.1 APE12-dist-in 7.4252 APE11-dist-out 6.7293 APE10-dist-out 8.0905 APE9-dist-in 3.9061 None None None XRAY 2.9 0.207 0.269 B 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv Homo sapiens STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVC Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.4018 12.8215 BLAminus -145.01, -173.65 43.07, 81.6 -93.72, 20.71 302.58, 100.01 -64.62, -22.64 in-in in 8.6307 Saltbr-in 2.7132 HRD-in -70.49, -53.9 97.36, -13.74 in-in-out SNCiio in-out ActLoopNT-in 2.8891 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -92.14, 174.93 APE9-dihe-na -72.95, -157.13 APE8-dihe-in -83.12, 122.22 APE8-rot-in 316.45 APE67-dihe-in -56.53, -35.42 -46.97, -50.29 APE12-dist-in 7.9617 APE11-dist-out 6.4618 APE10-dist-in 7.7853 APE9-dist-in 3.4663 None None None XRAY 2.9 0.207 0.269 C 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv Homo sapiens STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14
STE MAP3K14 M3K14_HUMAN 4IDVD Q99558 331 675 947.0 13V:701 Type1.5_Back Inactive DFGin 5.1851 12.7509 BLAminus -141.26, -170.3 49.15, 75.91 -94.03, 28.92 301.47, 99.94 -74.54, -18.37 in-in in 8.6093 Saltbr-in 2.5469 HRD-in -75.81, -46.16 90.12, -33.57 in-in-out SNCiio in-out ActLoopNT-in 3.0049 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -91.45, -178.53 APE9-dihe-na -88.49, -158.57 APE8-dihe-in -71.6, 115.17 APE8-rot-in 304.36 APE67-dihe-in -51.02, -34.46 -45.71, -54.05 APE12-dist-in 7.3677 APE11-dist-out 7.1788 APE10-dist-in 7.8197 APE9-dist-in 4.0411 None None None XRAY 2.9 0.207 0.269 D 356.0 335.0 0 33 33 0 [[399, 652]] 1.0 4idv Homo sapiens STE_MAP3K14_HUMAN STE 1.2e-62 217.7 4.0 252.0 249.0 533 534 535 537 539 429 440 444 512 514 513 515.0 578 566 561 560 559 558 557 556 555 470 Mitogen-activated protein kinase kinase kinase 14

Ligand: 13V

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