Ligand: BWC (Toceranib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 50.0% 9N7RB
DFGout None 1 50.0% 9N7RA
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 MAP4K1 M4K1_HUMAN 9N7RB Q92918 8 293 833.0 A1BWC:60303 Type1 Inactive DFGout 13.2968 7.461 BBAminus -95.98, 130.04 -92.56, 107.91 -107.94, 11.95 278.7, 152.36 -51.43, -31.57 out-out out 14.109 Saltbr-out 11.9982 HRD-in -70.53, -47.56 77.61, -10.23 out-out-out SNCooo out-out ActLoopNT-out 10.0028 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -82.83, -34.63 APE9-dihe-na 119.15, 153.13 APE8-dihe-in -69.07, 159.39 APE8-rot-out 47.32 APE67-dihe-in -62.98, -31.32 -84.37, -15.77 APE12-dist-out 18.6219 APE11-dist-out 18.3231 APE10-dist-out 17.0472 APE9-dist-out 19.0257 None None None XRAY 2.13 0.181 0.227 B 311.0 286.0 0 28 28 0 [[17, 274]] 1.0 9n7r STE_MAP4K1_HUMAN STE 5e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 9N7RA Q92918 6 293 833.0 A1BWC:60311,A1BWC:60312,A1BWC:60313,A1BWC:60314 Allosteric,Allosteric,Type1,Type3 Inactive DFGout 17.0319 11.8004 None -129.06, 178.2 -145.13, 177.54 -61.13, -39.48 183.33, 82.96 102.23, 179.57 out-out out 13.6324 Saltbr-out 11.2649 HRD-in -73.28, -53.35 86.93, -14.11 out-out-out SNCooo out-out ActLoopNT-out 13.9064 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -81.55, -0.66 APE9-dihe-na 85.8, 22.09 APE8-dihe-out 64.18, 169.47 APE8-rot-out 79.18 APE67-dihe-in -67.09, -36.34 -100.57, -1.37 APE12-dist-out 17.8617 APE11-dist-out 17.0784 APE10-dist-out 17.2359 APE9-dist-out 22.4876 None None None XRAY 2.13 0.181 0.227 A 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9n7r STE_MAP4K1_HUMAN STE 5e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: BWC (Toceranib)

Total number of chains: 4
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 6M13a
DFGout BBAminus 1 25.0% 9N7RB
DFGout None 1 25.0% 9N7RA
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 MAP4K1 M4K1_HUMAN 9N7RB Q92918 8 293 833.0 A1BWC:60303 Type1 Inactive DFGout 13.2968 7.461 BBAminus -95.98, 130.04 -92.56, 107.91 -107.94, 11.95 278.7, 152.36 -51.43, -31.57 out-out out 14.109 Saltbr-out 11.9982 HRD-in -70.53, -47.56 77.61, -10.23 out-out-out SNCooo out-out ActLoopNT-out 10.0028 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -82.83, -34.63 APE9-dihe-na 119.15, 153.13 APE8-dihe-in -69.07, 159.39 APE8-rot-out 47.32 APE67-dihe-in -62.98, -31.32 -84.37, -15.77 APE12-dist-out 18.6219 APE11-dist-out 18.3231 APE10-dist-out 17.0472 APE9-dist-out 19.0257 None None None XRAY 2.13 0.181 0.227 B 311.0 286.0 0 28 28 0 [[17, 274]] 1.0 9n7r Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 9N7RA Q92918 6 293 833.0 A1BWC:60311,A1BWC:60312,A1BWC:60313,A1BWC:60314 Allosteric,Allosteric,Type1,Type3 Inactive DFGout 17.0319 11.8004 None -129.06, 178.2 -145.13, 177.54 -61.13, -39.48 183.33, 82.96 102.23, 179.57 out-out out 13.6324 Saltbr-out 11.2649 HRD-in -73.28, -53.35 86.93, -14.11 out-out-out SNCooo out-out ActLoopNT-out 13.9064 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -81.55, -0.66 APE9-dihe-na 85.8, 22.09 APE8-dihe-out 64.18, 169.47 APE8-rot-out 79.18 APE67-dihe-in -67.09, -36.34 -100.57, -1.37 APE12-dist-out 17.8617 APE11-dist-out 17.0784 APE10-dist-out 17.2359 APE9-dist-out 22.4876 None None None XRAY 2.13 0.181 0.227 A 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9n7r Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
OTHER RNASEL A5H025_PIG 6M13A A5H025 22 727 743.0 BWC:801,25L:802 Type1,Allosteric Active DFGin 6.4242 12.8388 BLAminus -135.35, -178.66 68.41, 71.1 -98.45, 29.64 306.14, 96.19 -74.22, -24.16 in-in in 7.0394 Saltbr-in 2.7165 HRD-in -75.96, -45.1 77.37, -0.13 in-in-na SNCiia in-na ActLoopNT-in 2.9139 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -163.33, 84.25 APE9-dihe-na -58.44, -18.65 APE8-dihe-na -78.89, -11.57 APE8-rot-na 255.69 APE67-dihe-na -59.21, -34.9 -83.11, -1.84 APE12-dist-na 15.8383 APE11-dist-na 12.4189 APE10-dist-na 13.0397 APE9-dist-na 13.6407 None None None XRAY 2.56 0.234 0.286 a 717.0 681.0 0 20 20 0 [[351, 591]] 1.0 6m13 Sus scrofa OTHER_RNASEL_PIG RNASEL 2.2e-128 433.7 1.0 242.0 242.0 499 500 501 503 505 390 402 406 479 481 480 482.0 517 519 514 513 512 511 510 509 508 433 Ribonuclease L
OTHER RNASEL A5H025_PIG 6M13B A5H025 23 729 743.0 BWC:901,25L:902 Type1,Allosteric Active DFGin 6.398 13.006 BLAminus -136.47, -176.77 66.26, 71.43 -102.67, 33.53 310.5, 91.93 -72.65, -23.73 in-in in 7.0714 Saltbr-in 3.2849 HRD-in -73.55, -46.93 74.86, 3.45 in-in-na SNCiia in-na ActLoopNT-in 2.9076 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -160.4, 78.51 APE9-dihe-na -59.88, -15.71 APE8-dihe-na -78.79, -9.96 APE8-rot-na 197.91 APE67-dihe-na -68.99, -22.82 -85.86, -3.29 APE12-dist-na 15.9189 APE11-dist-na 13.6837 APE10-dist-na 13.9736 APE9-dist-na 14.245 None None None XRAY 2.56 0.234 0.286 b 717.0 688.0 2 20 20 0 [[351, 591]] 1.0 6m13 Sus scrofa OTHER_RNASEL_PIG RNASEL 2.2e-128 433.7 1.0 242.0 242.0 499 500 501 503 505 390 402 406 479 481 480 482.0 517 519 514 513 512 511 510 509 508 433 Ribonuclease L

Ligand: BWC (Toceranib)

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6M13a
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
OTHER RNASEL A5H025_PIG 6M13A A5H025 22 727 743.0 BWC:801,25L:802 Type1,Allosteric Active DFGin 6.4242 12.8388 BLAminus -135.35, -178.66 68.41, 71.1 -98.45, 29.64 306.14, 96.19 -74.22, -24.16 in-in in 7.0394 Saltbr-in 2.7165 HRD-in -75.96, -45.1 77.37, -0.13 in-in-na SNCiia in-na ActLoopNT-in 2.9139 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -163.33, 84.25 APE9-dihe-na -58.44, -18.65 APE8-dihe-na -78.89, -11.57 APE8-rot-na 255.69 APE67-dihe-na -59.21, -34.9 -83.11, -1.84 APE12-dist-na 15.8383 APE11-dist-na 12.4189 APE10-dist-na 13.0397 APE9-dist-na 13.6407 None None None XRAY 2.56 0.234 0.286 a 717.0 681.0 0 20 20 0 [[351, 591]] 1.0 6m13 Sus scrofa OTHER_RNASEL_PIG RNASEL 2.2e-128 433.7 1.0 242.0 242.0 499 500 501 503 505 390 402 406 479 481 480 482.0 517 519 514 513 512 511 510 509 508 433 Ribonuclease L
OTHER RNASEL A5H025_PIG 6M13B A5H025 23 729 743.0 BWC:901,25L:902 Type1,Allosteric Active DFGin 6.398 13.006 BLAminus -136.47, -176.77 66.26, 71.43 -102.67, 33.53 310.5, 91.93 -72.65, -23.73 in-in in 7.0714 Saltbr-in 3.2849 HRD-in -73.55, -46.93 74.86, 3.45 in-in-na SNCiia in-na ActLoopNT-in 2.9076 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -160.4, 78.51 APE9-dihe-na -59.88, -15.71 APE8-dihe-na -78.79, -9.96 APE8-rot-na 197.91 APE67-dihe-na -68.99, -22.82 -85.86, -3.29 APE12-dist-na 15.9189 APE11-dist-na 13.6837 APE10-dist-na 13.9736 APE9-dist-na 14.245 None None None XRAY 2.56 0.234 0.286 b 717.0 688.0 2 20 20 0 [[351, 591]] 1.0 6m13 Sus scrofa OTHER_RNASEL_PIG RNASEL 2.2e-128 433.7 1.0 242.0 242.0 499 500 501 503 505 390 402 406 479 481 480 482.0 517 519 514 513 512 511 510 509 508 433 Ribonuclease L