| 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 | 5S7IA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,HV2:509,HV2:510,HV2:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4231 | 13.4136 | BLAminus | -121.19, 161.49 | 77.75, 90.77 | -102.55, 26.67 | 296.81, 175.99 | -70.08, -16.54 | in-out | in | 9.1542 | Saltbr-out | 6.1975 | HRD-in | -79.1, -52.38 | 76.17, 1.2 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8872 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.34, 168.68 | APE9-dihe-na | -65.41, 166.87 | APE8-dihe-in | -63.35, 124.96 | APE8-rot-in | 301.24 | APE67-dihe-in | -56.97, -30.73 | -63.49, -38.5 | APE12-dist-none | 999.0 | APE11-dist-out | 6.0485 | APE10-dist-out | 8.8992 | APE9-dist-in | 3.6905 | Q207D | None | None | XRAY | 1.3 | 0.158 | 0.176 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7i | 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 | 5S7IB | Q04771 | 205 | 499 | 509.0 | LU8:501,HV2:505,HV2:506,HV2:507,HV2:508,HV2:509,HV2:510,HV2:511,HV2:512,HV2:513 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0297 | 13.3467 | BLAminus | -124.03, 163.17 | 76.81, 90.06 | -103.28, 20.27 | 301.31, 176.76 | -69.97, -14.64 | in-out | in | 8.7537 | Saltbr-out | 4.763 | HRD-in | -75.19, -55.72 | 81.55, -2.41 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9502 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -121.42, 164.49 | APE9-dihe-na | -59.34, 164.13 | APE8-dihe-in | -60.56, 130.0 | APE8-rot-in | 297.57 | APE67-dihe-in | -61.93, -26.2 | -62.79, -39.84 | APE12-dist-in | 10.3438 | APE11-dist-out | 6.121 | APE10-dist-out | 9.0233 | APE9-dist-in | 3.8528 | Q207D | None | None | XRAY | 1.3 | 0.158 | 0.176 | B | 301.0 | 294.0 | 1 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7i | 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 |
| 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 | 5S7IA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,HV2:509,HV2:510,HV2:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4231 | 13.4136 | BLAminus | -121.19, 161.49 | 77.75, 90.77 | -102.55, 26.67 | 296.81, 175.99 | -70.08, -16.54 | in-out | in | 9.1542 | Saltbr-out | 6.1975 | HRD-in | -79.1, -52.38 | 76.17, 1.2 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8872 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.34, 168.68 | APE9-dihe-na | -65.41, 166.87 | APE8-dihe-in | -63.35, 124.96 | APE8-rot-in | 301.24 | APE67-dihe-in | -56.97, -30.73 | -63.49, -38.5 | APE12-dist-none | 999.0 | APE11-dist-out | 6.0485 | APE10-dist-out | 8.8992 | APE9-dist-in | 3.6905 | Q207D | None | None | XRAY | 1.3 | 0.158 | 0.176 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7i | 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 | 5S7IB | Q04771 | 205 | 499 | 509.0 | LU8:501,HV2:505,HV2:506,HV2:507,HV2:508,HV2:509,HV2:510,HV2:511,HV2:512,HV2:513 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0297 | 13.3467 | BLAminus | -124.03, 163.17 | 76.81, 90.06 | -103.28, 20.27 | 301.31, 176.76 | -69.97, -14.64 | in-out | in | 8.7537 | Saltbr-out | 4.763 | HRD-in | -75.19, -55.72 | 81.55, -2.41 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9502 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -121.42, 164.49 | APE9-dihe-na | -59.34, 164.13 | APE8-dihe-in | -60.56, 130.0 | APE8-rot-in | 297.57 | APE67-dihe-in | -61.93, -26.2 | -62.79, -39.84 | APE12-dist-in | 10.3438 | APE11-dist-out | 6.121 | APE10-dist-out | 9.0233 | APE9-dist-in | 3.8528 | Q207D | None | None | XRAY | 1.3 | 0.158 | 0.176 | B | 301.0 | 294.0 | 1 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7i | 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 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|