Ligand: HUH

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6QAGA
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 MAPK1 MK01_HUMAN 6QAGA P28482 11 357 360.0 HUH:404,HUH:405 Type1,Allosteric Inactive DFGin 6.6737 16.3283 BLAminus -131.07, 179.69 59.56, 79.71 -94.59, 23.02 291.33, 80.77 -60.94, -31.24 out-out out 10.1879 Saltbr-out 6.317 HRD-in -68.77, -49.91 69.72, -0.83 out-in-out SNCoio in-out ActLoopNT-in 2.6962 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -85.9, -34.97 APE9-dihe-na -66.74, 159.57 APE8-dihe-in -60.99, 132.48 APE8-rot-in 309.19 APE67-dihe-in -70.55, -17.76 -62.43, -41.0 APE12-dist-out 14.314 APE11-dist-in 10.9391 APE10-dist-in 7.144 APE9-dist-in 4.5323 None None CME161 XRAY 2.07 0.187 0.235 A 368.0 340.0 0 31 31 0 [[25, 313]] 1.0 6qag CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TKL ACVR1 ACVR1_HUMAN 5S75B Q04771 205 499 509.0 LU8:501,HUH:505,HUH:506 Type1,Allosteric,Allosteric Inactive DFGin 7.0427 13.384 BLAminus -125.56, 161.73 76.89, 90.9 -104.0, 22.37 302.45, 178.35 -68.36, -16.58 in-out in 8.8028 Saltbr-out 4.754 HRD-in -77.19, -54.35 79.9, -2.77 out-in-out SNCoio in-out ActLoopNT-in 2.9254 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -120.92, 165.96 APE9-dihe-na -62.98, 165.92 APE8-dihe-in -61.22, 127.2 APE8-rot-in 298.98 APE67-dihe-in -59.47, -28.54 -61.97, -40.32 APE12-dist-in 10.3728 APE11-dist-out 6.1931 APE10-dist-out 8.992 APE9-dist-in 3.7784 Q207D None None XRAY 1.3 0.156 0.173 B 301.0 293.0 2 32 32 0 [[207, 497]] 1.0 5s75 TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 5S75A Q04771 202 499 509.0 LU8:501,LU8:508,LU8:509,HUH:510,HUH:511 Type1,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 8.4122 13.3109 BLAminus -121.86, 161.2 77.57, 90.63 -103.17, 26.39 302.13, 178.97 -70.27, -17.43 in-out in 9.1959 Saltbr-out 6.1065 HRD-in -77.34, -53.49 77.65, 2.76 out-in-out SNCoio in-out ActLoopNT-in 2.9431 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -123.16, 170.77 APE9-dihe-na -65.21, 166.76 APE8-dihe-in -64.6, 123.77 APE8-rot-in 302.54 APE67-dihe-in -59.09, -30.5 -61.28, -37.14 APE12-dist-none 999.0 APE11-dist-out 6.2204 APE10-dist-out 8.9132 APE9-dist-in 3.6893 Q207D None None XRAY 1.3 0.156 0.173 A 301.0 283.0 15 32 19 13 [[207, 497]] 1.0 5s75 TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1

Ligand: HUH

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 6QAGA
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
CMGC MAPK1 MK01_HUMAN 6QAGA P28482 11 357 360.0 HUH:404,HUH:405 Type1,Allosteric Inactive DFGin 6.6737 16.3283 BLAminus -131.07, 179.69 59.56, 79.71 -94.59, 23.02 291.33, 80.77 -60.94, -31.24 out-out out 10.1879 Saltbr-out 6.317 HRD-in -68.77, -49.91 69.72, -0.83 out-in-out SNCoio in-out ActLoopNT-in 2.6962 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -85.9, -34.97 APE9-dihe-na -66.74, 159.57 APE8-dihe-in -60.99, 132.48 APE8-rot-in 309.19 APE67-dihe-in -70.55, -17.76 -62.43, -41.0 APE12-dist-out 14.314 APE11-dist-in 10.9391 APE10-dist-in 7.144 APE9-dist-in 4.5323 None None CME161 XRAY 2.07 0.187 0.235 A 368.0 340.0 0 31 31 0 [[25, 313]] 1.0 6qag Homo sapiens CMGC_MAPK1_HUMAN CMGC 9.9e-86 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
TKL ACVR1 ACVR1_HUMAN 5S75B Q04771 205 499 509.0 LU8:501,HUH:505,HUH:506 Type1,Allosteric,Allosteric Inactive DFGin 7.0427 13.384 BLAminus -125.56, 161.73 76.89, 90.9 -104.0, 22.37 302.45, 178.35 -68.36, -16.58 in-out in 8.8028 Saltbr-out 4.754 HRD-in -77.19, -54.35 79.9, -2.77 out-in-out SNCoio in-out ActLoopNT-in 2.9254 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -120.92, 165.96 APE9-dihe-na -62.98, 165.92 APE8-dihe-in -61.22, 127.2 APE8-rot-in 298.98 APE67-dihe-in -59.47, -28.54 -61.97, -40.32 APE12-dist-in 10.3728 APE11-dist-out 6.1931 APE10-dist-out 8.992 APE9-dist-in 3.7784 Q207D None None XRAY 1.3 0.156 0.173 B 301.0 293.0 2 32 32 0 [[207, 497]] 1.0 5s75 Homo sapiens TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1
TKL ACVR1 ACVR1_HUMAN 5S75A Q04771 202 499 509.0 LU8:501,LU8:508,LU8:509,HUH:510,HUH:511 Type1,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 8.4122 13.3109 BLAminus -121.86, 161.2 77.57, 90.63 -103.17, 26.39 302.13, 178.97 -70.27, -17.43 in-out in 9.1959 Saltbr-out 6.1065 HRD-in -77.34, -53.49 77.65, 2.76 out-in-out SNCoio in-out ActLoopNT-in 2.9431 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -123.16, 170.77 APE9-dihe-na -65.21, 166.76 APE8-dihe-in -64.6, 123.77 APE8-rot-in 302.54 APE67-dihe-in -59.09, -30.5 -61.28, -37.14 APE12-dist-none 999.0 APE11-dist-out 6.2204 APE10-dist-out 8.9132 APE9-dist-in 3.6893 Q207D None None XRAY 1.3 0.156 0.173 A 301.0 283.0 15 32 19 13 [[207, 497]] 1.0 5s75 Homo sapiens TKL_ACVR1_HUMAN TKL 1.9e-85 292.5 2.0 267.0 266.0 353 354 355 357 359 235 248 252 333 335 334 336.0 403 385 380 379 378 377 376 375 374 284 Activin receptor type-1

Ligand: HUH

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