Ligand: XHJ

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5S7LB
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
TKL ACVR1 ACVR1_HUMAN 5S7LA Q04771 201 499 509.0 LU8:501,LU8:507,LU8:508,XHJ:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3207 13.3339 BLAminus -121.54, 163.42 75.33, 89.93 -101.4, 25.91 299.12, 0.16 -70.86, -16.31 in-out in 9.0177 Saltbr-out 5.8431 HRD-in -77.38, -52.76 78.01, -1.55 out-in-out SNCoio in-out ActLoopNT-in 2.8952 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -125.9, 174.3 APE9-dihe-na -64.5, 161.75 APE8-dihe-in -61.28, 122.78 APE8-rot-in 301.43 APE67-dihe-in -55.46, -32.76 -59.71, -41.51 APE12-dist-in 10.728 APE11-dist-out 6.281 APE10-dist-out 8.7835 APE9-dist-in 3.7348 Q207D None None XRAY 1.36 0.167 0.188 A 301.0 286.0 13 32 21 11 [[207, 497]] 1.0 5s7l 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 5S7LB Q04771 205 499 509.0 LU8:501,XHJ:505,XHJ:506,XHJ:507,XHJ:508 Type1,Allosteric,Allosteric,Allosteric,Type3 Inactive DFGin 7.1106 13.3904 BLAminus -125.42, 162.47 77.36, 89.52 -102.53, 17.7 300.76, 174.49 -63.63, -17.96 in-out in 8.7862 Saltbr-out 4.4575 HRD-in -76.1, -52.38 79.68, -4.98 out-in-out SNCoio in-out ActLoopNT-in 2.9355 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -116.61, 167.49 APE9-dihe-na -61.83, 166.04 APE8-dihe-in -62.17, 127.63 APE8-rot-in 299.54 APE67-dihe-in -59.75, -27.49 -60.2, -41.98 APE12-dist-in 10.4367 APE11-dist-out 6.3974 APE10-dist-out 9.019 APE9-dist-in 3.8941 Q207D None None XRAY 1.36 0.167 0.188 B 301.0 292.0 3 32 32 0 [[207, 497]] 1.0 5s7l 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: XHJ

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 5S7LB
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
TKL ACVR1 ACVR1_HUMAN 5S7LA Q04771 201 499 509.0 LU8:501,LU8:507,LU8:508,XHJ:509 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3207 13.3339 BLAminus -121.54, 163.42 75.33, 89.93 -101.4, 25.91 299.12, 0.16 -70.86, -16.31 in-out in 9.0177 Saltbr-out 5.8431 HRD-in -77.38, -52.76 78.01, -1.55 out-in-out SNCoio in-out ActLoopNT-in 2.8952 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -125.9, 174.3 APE9-dihe-na -64.5, 161.75 APE8-dihe-in -61.28, 122.78 APE8-rot-in 301.43 APE67-dihe-in -55.46, -32.76 -59.71, -41.51 APE12-dist-in 10.728 APE11-dist-out 6.281 APE10-dist-out 8.7835 APE9-dist-in 3.7348 Q207D None None XRAY 1.36 0.167 0.188 A 301.0 286.0 13 32 21 11 [[207, 497]] 1.0 5s7l 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 5S7LB Q04771 205 499 509.0 LU8:501,XHJ:505,XHJ:506,XHJ:507,XHJ:508 Type1,Allosteric,Allosteric,Allosteric,Type3 Inactive DFGin 7.1106 13.3904 BLAminus -125.42, 162.47 77.36, 89.52 -102.53, 17.7 300.76, 174.49 -63.63, -17.96 in-out in 8.7862 Saltbr-out 4.4575 HRD-in -76.1, -52.38 79.68, -4.98 out-in-out SNCoio in-out ActLoopNT-in 2.9355 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -116.61, 167.49 APE9-dihe-na -61.83, 166.04 APE8-dihe-in -62.17, 127.63 APE8-rot-in 299.54 APE67-dihe-in -59.75, -27.49 -60.2, -41.98 APE12-dist-in 10.4367 APE11-dist-out 6.3974 APE10-dist-out 9.019 APE9-dist-in 3.8941 Q207D None None XRAY 1.36 0.167 0.188 B 301.0 292.0 3 32 32 0 [[207, 497]] 1.0 5s7l 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: XHJ

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