Ligand: 1BU

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 100.0% 3GCQA
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
CMGC MAPK14 MK14_HUMAN 3GCQA Q16539 4 355 360.0 1BU:401 Type2 Inactive DFGout 14.6646 10.6705 BBAminus -139.23, -170.27 -145.46, 100.56 -65.8, -17.82 263.24, 85.46 68.21, 999.0 in-out in 9.7205 Saltbr-out 5.0738 HRD-in -70.7, -53.82 76.41, -13.25 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 112.05 APE9-dihe-na -79.36, 140.98 APE8-dihe-out -65.6, -31.05 APE8-rot-in 287.72 APE67-dihe-in -59.4, -25.34 -65.07, -25.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1048 C119S,C162S,A172C,F327L None None XRAY 2.0 0.219 0.27 A 360.0 337.0 15 25 13 12 [[24, 308]] 1.0 3gcq CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: 1BU

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 100.0% 3GCQA
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
TYR SRC SRC_CHICK 3F3WA P00523 257 533 533.0 1BU:1 Type2 Inactive DFGout 13.5728 11.1035 BBAminus -138.19, 171.57 -137.32, 113.81 -88.16, 10.34 306.61, 146.48 49.89, 44.03 in-in in 7.8195 Saltbr-in 2.672 HRD-in -89.96, -60.75 96.47, -20.64 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 141.4 APE8-dihe-in -88.19, 58.78 APE8-rot-na 34.79 APE67-dihe-in -59.81, -25.73 -64.67, -28.33 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.1219 T338M,S345C None None XRAY 2.6 0.223 0.277 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 3f3w Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3WB P00523 258 533 533.0 1BU:1 Type2 Inactive DFGout 13.5395 11.3933 BBAminus -132.63, 173.7 -139.82, 120.26 -95.39, 19.5 311.09, 134.23 53.59, 35.27 in-in in 7.6621 Saltbr-in 3.0534 HRD-in -86.98, -66.07 99.71, -15.43 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.42 APE8-dihe-in -91.61, 63.3 APE8-rot-na 35.33 APE67-dihe-in -52.95, -15.16 -65.85, -32.48 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.1721 T338M,S345C None None XRAY 2.6 0.223 0.277 B 286.0 260.0 16 29 13 16 [[267, 518]] 1.0 3f3w Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3VA P00523 257 533 533.0 1BU:1 Type2 Inactive DFGout 14.7975 11.8669 BBAminus -150.92, 174.68 -149.53, 118.03 -81.04, -0.39 294.74, 52.56 75.95, -38.33 in-in in 7.6715 Saltbr-in 2.7286 HRD-in -81.53, -65.8 107.53, -23.98 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 115.09 APE8-dihe-out -76.95, 47.31 APE8-rot-na 32.22 APE67-dihe-in -60.79, -13.38 -64.86, -41.46 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5154 S345C None None XRAY 2.6 0.213 0.284 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 3f3v Gallus gallus TYR_SRC_CHICK TYR 4.5e-94 320.5 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3VB P00523 256 533 533.0 1BU:1 Type2 Inactive DFGout 14.9256 11.0714 BBAminus -154.05, 167.89 -135.74, 116.52 -76.89, -7.25 280.75, 70.43 72.56, 2.76 in-in in 7.5251 Saltbr-in 2.866 HRD-in -79.47, -51.89 88.35, -31.63 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 140.05 APE8-dihe-in -72.06, 50.9 APE8-rot-na 33.32 APE67-dihe-in -69.0, -2.44 -64.48, -31.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.6279 S345C None None XRAY 2.6 0.213 0.284 B 286.0 262.0 16 29 13 16 [[267, 518]] 1.0 3f3v Gallus gallus TYR_SRC_CHICK TYR 4.5e-94 320.5 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
CMGC MAPK14 MK14_HUMAN 3GCQA Q16539 4 355 360.0 1BU:401 Type2 Inactive DFGout 14.6646 10.6705 BBAminus -139.23, -170.27 -145.46, 100.56 -65.8, -17.82 263.24, 85.46 68.21, 999.0 in-out in 9.7205 Saltbr-out 5.0738 HRD-in -70.7, -53.82 76.41, -13.25 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 112.05 APE9-dihe-na -79.36, 140.98 APE8-dihe-out -65.6, -31.05 APE8-rot-in 287.72 APE67-dihe-in -59.4, -25.34 -65.07, -25.16 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1048 C119S,C162S,A172C,F327L None None XRAY 2.0 0.219 0.27 A 360.0 337.0 15 25 13 12 [[24, 308]] 1.0 3gcq Homo sapiens CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: 1BU

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 3F3WA
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
TYR SRC SRC_CHICK 3F3WA P00523 257 533 533.0 1BU:1 Type2 Inactive DFGout 13.5728 11.1035 BBAminus -138.19, 171.57 -137.32, 113.81 -88.16, 10.34 306.61, 146.48 49.89, 44.03 in-in in 7.8195 Saltbr-in 2.672 HRD-in -89.96, -60.75 96.47, -20.64 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 141.4 APE8-dihe-in -88.19, 58.78 APE8-rot-na 34.79 APE67-dihe-in -59.81, -25.73 -64.67, -28.33 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.1219 T338M,S345C None None XRAY 2.6 0.223 0.277 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 3f3w Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3WB P00523 258 533 533.0 1BU:1 Type2 Inactive DFGout 13.5395 11.3933 BBAminus -132.63, 173.7 -139.82, 120.26 -95.39, 19.5 311.09, 134.23 53.59, 35.27 in-in in 7.6621 Saltbr-in 3.0534 HRD-in -86.98, -66.07 99.71, -15.43 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 149.42 APE8-dihe-in -91.61, 63.3 APE8-rot-na 35.33 APE67-dihe-in -52.95, -15.16 -65.85, -32.48 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.1721 T338M,S345C None None XRAY 2.6 0.223 0.277 B 286.0 260.0 16 29 13 16 [[267, 518]] 1.0 3f3w Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3VA P00523 257 533 533.0 1BU:1 Type2 Inactive DFGout 14.7975 11.8669 BBAminus -150.92, 174.68 -149.53, 118.03 -81.04, -0.39 294.74, 52.56 75.95, -38.33 in-in in 7.6715 Saltbr-in 2.7286 HRD-in -81.53, -65.8 107.53, -23.98 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 115.09 APE8-dihe-out -76.95, 47.31 APE8-rot-na 32.22 APE67-dihe-in -60.79, -13.38 -64.86, -41.46 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5154 S345C None None XRAY 2.6 0.213 0.284 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 3f3v Gallus gallus TYR_SRC_CHICK TYR 4.5e-94 320.5 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 3F3VB P00523 256 533 533.0 1BU:1 Type2 Inactive DFGout 14.9256 11.0714 BBAminus -154.05, 167.89 -135.74, 116.52 -76.89, -7.25 280.75, 70.43 72.56, 2.76 in-in in 7.5251 Saltbr-in 2.866 HRD-in -79.47, -51.89 88.35, -31.63 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 140.05 APE8-dihe-in -72.06, 50.9 APE8-rot-na 33.32 APE67-dihe-in -69.0, -2.44 -64.48, -31.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.6279 S345C None None XRAY 2.6 0.213 0.284 B 286.0 262.0 16 29 13 16 [[267, 518]] 1.0 3f3v Gallus gallus TYR_SRC_CHICK TYR 4.5e-94 320.5 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src