Ligand: XK4

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% 5S85B
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 5S85A Q04771 202 499 509.0 LU8:501,LU8:507,LU8:508,XK4:509,XK4:510,XK4:511,XK4:512 Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3817 13.3344 BLAminus -122.41, 161.16 77.18, 90.52 -102.57, 24.0 300.65, 177.17 -69.5, -18.6 in-out in 9.1659 Saltbr-out 6.0741 HRD-in -76.19, -53.3 76.63, 0.17 out-in-out SNCoio in-out ActLoopNT-in 2.905 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -127.51, 169.88 APE9-dihe-na -65.71, 163.81 APE8-dihe-in -61.83, 125.14 APE8-rot-in 302.55 APE67-dihe-in -58.05, -31.45 -63.04, -37.5 APE12-dist-none 999.0 APE11-dist-out 6.228 APE10-dist-out 8.8547 APE9-dist-in 3.7358 Q207D None None XRAY 1.33 0.162 0.182 A 301.0 282.0 16 32 19 13 [[207, 497]] 1.0 5s85 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 5S85B Q04771 207 499 509.0 LU8:501,XK4:505,XK4:506,XK4:507 Type1,Type1,Allosteric,Allosteric Inactive DFGin 6.9932 13.3738 BLAminus -127.18, 161.1 77.88, 88.72 -101.83, 19.04 301.72, 175.14 -66.37, -15.29 in-out in 8.7132 Saltbr-out 4.6046 HRD-in -77.44, -53.87 79.87, -4.46 out-in-out SNCoio in-out ActLoopNT-in 2.9328 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -119.46, 164.3 APE9-dihe-na -59.94, 165.51 APE8-dihe-in -60.21, 126.73 APE8-rot-in 299.02 APE67-dihe-in -60.44, -25.63 -60.52, -40.57 APE12-dist-in 10.3512 APE11-dist-out 6.2103 APE10-dist-out 9.0332 APE9-dist-in 3.8112 Q207D None None XRAY 1.33 0.162 0.182 B 301.0 290.0 3 32 32 0 [[207, 497]] 1.0 5s85 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: XK4

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% 5S85B
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 5S85A Q04771 202 499 509.0 LU8:501,LU8:507,LU8:508,XK4:509,XK4:510,XK4:511,XK4:512 Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3817 13.3344 BLAminus -122.41, 161.16 77.18, 90.52 -102.57, 24.0 300.65, 177.17 -69.5, -18.6 in-out in 9.1659 Saltbr-out 6.0741 HRD-in -76.19, -53.3 76.63, 0.17 out-in-out SNCoio in-out ActLoopNT-in 2.905 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -127.51, 169.88 APE9-dihe-na -65.71, 163.81 APE8-dihe-in -61.83, 125.14 APE8-rot-in 302.55 APE67-dihe-in -58.05, -31.45 -63.04, -37.5 APE12-dist-none 999.0 APE11-dist-out 6.228 APE10-dist-out 8.8547 APE9-dist-in 3.7358 Q207D None None XRAY 1.33 0.162 0.182 A 301.0 282.0 16 32 19 13 [[207, 497]] 1.0 5s85 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 5S85B Q04771 207 499 509.0 LU8:501,XK4:505,XK4:506,XK4:507 Type1,Type1,Allosteric,Allosteric Inactive DFGin 6.9932 13.3738 BLAminus -127.18, 161.1 77.88, 88.72 -101.83, 19.04 301.72, 175.14 -66.37, -15.29 in-out in 8.7132 Saltbr-out 4.6046 HRD-in -77.44, -53.87 79.87, -4.46 out-in-out SNCoio in-out ActLoopNT-in 2.9328 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -119.46, 164.3 APE9-dihe-na -59.94, 165.51 APE8-dihe-in -60.21, 126.73 APE8-rot-in 299.02 APE67-dihe-in -60.44, -25.63 -60.52, -40.57 APE12-dist-in 10.3512 APE11-dist-out 6.2103 APE10-dist-out 9.0332 APE9-dist-in 3.8112 Q207D None None XRAY 1.33 0.162 0.182 B 301.0 290.0 3 32 32 0 [[207, 497]] 1.0 5s85 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: XK4

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