Ligand: HVK

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% 6QA1A
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 6QA1A P28482 11 358 360.0 HVK:402,HVK:403,HVK:404,HVK:405,HVK:406,HVK:407,HVK:408 Allosteric,Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 6.7607 16.7277 BLAminus -135.55, 177.67 62.97, 80.07 -93.23, 24.97 286.56, 81.05 -59.92, -35.8 out-out out 10.1503 Saltbr-out 5.5045 HRD-in -69.93, -53.53 76.59, 4.02 out-in-out SNCoio in-out ActLoopNT-in 2.8001 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -107.89, -31.2 APE9-dihe-na -62.32, 155.7 APE8-dihe-in -48.95, 124.85 APE8-rot-in 312.15 APE67-dihe-in -64.53, -16.99 -56.95, -46.9 APE12-dist-out 14.383 APE11-dist-in 10.9687 APE10-dist-in 7.3149 APE9-dist-in 4.1957 None None CME161 XRAY 1.58 0.168 0.203 A 368.0 342.0 0 31 31 0 [[25, 313]] 1.0 6qa1 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 5S7MB Q04771 208 499 509.0 LU8:501,HVK:505 Type1,Allosteric Inactive DFGin 7.009 13.3206 BLAminus -124.89, 160.91 76.23, 87.23 -100.03, 22.28 300.52, 174.89 -68.18, -14.07 in-out in 8.451 Saltbr-out 4.2021 HRD-in -76.72, -54.96 80.02, -2.85 out-in-out SNCoio in-out ActLoopNT-in 2.9243 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -122.58, 168.17 APE9-dihe-na -62.95, 162.95 APE8-dihe-in -58.04, 127.45 APE8-rot-in 298.56 APE67-dihe-in -59.18, -25.23 -62.3, -40.69 APE12-dist-in 10.3695 APE11-dist-out 6.2098 APE10-dist-out 8.9384 APE9-dist-in 3.8142 Q207D None None XRAY 1.32 0.171 0.195 B 301.0 290.0 2 32 32 0 [[207, 497]] 1.0 5s7m 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 5S7MA Q04771 202 499 509.0 LU8:501,LU8:507,HVK:508,HVK:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.2948 13.3693 BLAminus -125.86, 158.69 77.31, 90.22 -102.58, 22.57 301.89, 179.15 -62.4, -27.33 in-out in 9.2746 Saltbr-out 6.0388 HRD-in -76.09, -53.81 76.66, 2.88 out-in-out SNCoio in-out ActLoopNT-in 2.9008 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -128.0, 172.86 APE9-dihe-na -61.78, 157.6 APE8-dihe-in -61.33, 123.11 APE8-rot-in 304.71 APE67-dihe-in -54.75, -34.14 -63.89, -37.36 APE12-dist-in 11.0098 APE11-dist-out 6.3161 APE10-dist-out 8.7728 APE9-dist-in 3.828 Q207D None None XRAY 1.32 0.171 0.195 A 301.0 285.0 13 32 22 10 [[207, 497]] 1.0 5s7m 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: HVK

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% 6QA1A
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 6QA1A P28482 11 358 360.0 HVK:402,HVK:403,HVK:404,HVK:405,HVK:406,HVK:407,HVK:408 Allosteric,Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 6.7607 16.7277 BLAminus -135.55, 177.67 62.97, 80.07 -93.23, 24.97 286.56, 81.05 -59.92, -35.8 out-out out 10.1503 Saltbr-out 5.5045 HRD-in -69.93, -53.53 76.59, 4.02 out-in-out SNCoio in-out ActLoopNT-in 2.8001 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -107.89, -31.2 APE9-dihe-na -62.32, 155.7 APE8-dihe-in -48.95, 124.85 APE8-rot-in 312.15 APE67-dihe-in -64.53, -16.99 -56.95, -46.9 APE12-dist-out 14.383 APE11-dist-in 10.9687 APE10-dist-in 7.3149 APE9-dist-in 4.1957 None None CME161 XRAY 1.58 0.168 0.203 A 368.0 342.0 0 31 31 0 [[25, 313]] 1.0 6qa1 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 5S7MB Q04771 208 499 509.0 LU8:501,HVK:505 Type1,Allosteric Inactive DFGin 7.009 13.3206 BLAminus -124.89, 160.91 76.23, 87.23 -100.03, 22.28 300.52, 174.89 -68.18, -14.07 in-out in 8.451 Saltbr-out 4.2021 HRD-in -76.72, -54.96 80.02, -2.85 out-in-out SNCoio in-out ActLoopNT-in 2.9243 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -122.58, 168.17 APE9-dihe-na -62.95, 162.95 APE8-dihe-in -58.04, 127.45 APE8-rot-in 298.56 APE67-dihe-in -59.18, -25.23 -62.3, -40.69 APE12-dist-in 10.3695 APE11-dist-out 6.2098 APE10-dist-out 8.9384 APE9-dist-in 3.8142 Q207D None None XRAY 1.32 0.171 0.195 B 301.0 290.0 2 32 32 0 [[207, 497]] 1.0 5s7m 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 5S7MA Q04771 202 499 509.0 LU8:501,LU8:507,HVK:508,HVK:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.2948 13.3693 BLAminus -125.86, 158.69 77.31, 90.22 -102.58, 22.57 301.89, 179.15 -62.4, -27.33 in-out in 9.2746 Saltbr-out 6.0388 HRD-in -76.09, -53.81 76.66, 2.88 out-in-out SNCoio in-out ActLoopNT-in 2.9008 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -128.0, 172.86 APE9-dihe-na -61.78, 157.6 APE8-dihe-in -61.33, 123.11 APE8-rot-in 304.71 APE67-dihe-in -54.75, -34.14 -63.89, -37.36 APE12-dist-in 11.0098 APE11-dist-out 6.3161 APE10-dist-out 8.7728 APE9-dist-in 3.828 Q207D None None XRAY 1.32 0.171 0.195 A 301.0 285.0 13 32 22 10 [[207, 497]] 1.0 5s7m 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: HVK

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