Ligand: XKY

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% 5S8AB
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 5S8AB Q04771 205 499 509.0 LU8:501,XKY:505 Type1,Allosteric Inactive DFGin 6.9551 13.3366 BLAminus -125.42, 163.04 76.47, 86.69 -100.25, 21.43 305.15, 178.88 -67.55, -16.71 in-out in 8.827 Saltbr-out 4.6784 HRD-in -78.68, -54.41 80.9, -2.81 out-in-out SNCoio in-out ActLoopNT-in 2.9379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -117.78, 163.73 APE9-dihe-na -58.28, 164.12 APE8-dihe-in -61.01, 126.61 APE8-rot-in 297.82 APE67-dihe-in -58.41, -30.66 -59.54, -41.22 APE12-dist-in 10.2403 APE11-dist-out 6.1169 APE10-dist-out 9.04 APE9-dist-in 3.7761 Q207D None None XRAY 1.3 0.158 0.179 B 301.0 292.0 3 32 32 0 [[207, 497]] 1.0 5s8a 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 5S8AA Q04771 202 499 509.0 LU8:501,LU8:508,LU8:509,XKY:510 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3751 13.2912 BLAminus -123.48, 162.27 75.26, 91.11 -103.25, 28.11 302.42, 0.24 -70.28, -18.37 in-out in 9.2906 Saltbr-out 6.0868 HRD-in -77.3, -55.71 79.01, -0.21 out-in-out SNCoio in-out ActLoopNT-in 2.9308 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -123.8, 171.85 APE9-dihe-na -62.19, 164.47 APE8-dihe-in -62.15, 125.78 APE8-rot-in 303.5 APE67-dihe-in -57.64, -30.13 -63.86, -37.62 APE12-dist-none 999.0 APE11-dist-out 6.2268 APE10-dist-out 8.8929 APE9-dist-in 3.6826 Q207D None None XRAY 1.3 0.158 0.179 A 301.0 283.0 15 32 19 13 [[207, 497]] 1.0 5s8a 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: XKY

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% 5S8AB
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 5S8AB Q04771 205 499 509.0 LU8:501,XKY:505 Type1,Allosteric Inactive DFGin 6.9551 13.3366 BLAminus -125.42, 163.04 76.47, 86.69 -100.25, 21.43 305.15, 178.88 -67.55, -16.71 in-out in 8.827 Saltbr-out 4.6784 HRD-in -78.68, -54.41 80.9, -2.81 out-in-out SNCoio in-out ActLoopNT-in 2.9379 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iooi APE10-dihe-na -117.78, 163.73 APE9-dihe-na -58.28, 164.12 APE8-dihe-in -61.01, 126.61 APE8-rot-in 297.82 APE67-dihe-in -58.41, -30.66 -59.54, -41.22 APE12-dist-in 10.2403 APE11-dist-out 6.1169 APE10-dist-out 9.04 APE9-dist-in 3.7761 Q207D None None XRAY 1.3 0.158 0.179 B 301.0 292.0 3 32 32 0 [[207, 497]] 1.0 5s8a 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 5S8AA Q04771 202 499 509.0 LU8:501,LU8:508,LU8:509,XKY:510 Type1,Allosteric,Allosteric,Allosteric Inactive DFGin 8.3751 13.2912 BLAminus -123.48, 162.27 75.26, 91.11 -103.25, 28.11 302.42, 0.24 -70.28, -18.37 in-out in 9.2906 Saltbr-out 6.0868 HRD-in -77.3, -55.71 79.01, -0.21 out-in-out SNCoio in-out ActLoopNT-in 2.9308 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooi APE10-dihe-na -123.8, 171.85 APE9-dihe-na -62.19, 164.47 APE8-dihe-in -62.15, 125.78 APE8-rot-in 303.5 APE67-dihe-in -57.64, -30.13 -63.86, -37.62 APE12-dist-none 999.0 APE11-dist-out 6.2268 APE10-dist-out 8.8929 APE9-dist-in 3.6826 Q207D None None XRAY 1.3 0.158 0.179 A 301.0 283.0 15 32 19 13 [[207, 497]] 1.0 5s8a 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: XKY

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