| 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 | 5S87B | Q04771 | 205 | 499 | 509.0 | LU8:501,XKD:505 | Type1,Allosteric | Inactive | DFGin | 6.9646 | 13.3873 | BLAminus | -125.7, 164.87 | 74.71, 88.13 | -101.5, 22.91 | 303.75, 177.62 | -68.86, -17.71 | in-out | in | 8.8328 | Saltbr-out | 4.7493 | HRD-in | -82.36, -52.31 | 79.91, -1.72 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.92 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.25, 165.32 | APE9-dihe-na | -62.4, 164.8 | APE8-dihe-in | -61.06, 127.57 | APE8-rot-in | 297.97 | APE67-dihe-in | -58.73, -29.86 | -59.37, -42.06 | APE12-dist-in | 10.2433 | APE11-dist-out | 6.1731 | APE10-dist-out | 8.9694 | APE9-dist-in | 3.6795 | Q207D | None | None | XRAY | 1.3 | 0.161 | 0.181 | B | 301.0 | 290.0 | 5 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s87 | 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 | 5S87A | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.356 | 13.334 | BLAminus | -124.64, 162.22 | 77.24, 89.92 | -101.8, 26.16 | 301.34, 177.73 | -70.64, -14.84 | in-out | in | 9.288 | Saltbr-out | 6.0745 | HRD-in | -77.97, -54.71 | 79.68, 0.35 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9318 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -122.28, 171.55 | APE9-dihe-na | -60.97, 165.72 | APE8-dihe-in | -65.13, 123.33 | APE8-rot-in | 301.16 | APE67-dihe-in | -56.7, -32.97 | -59.78, -39.02 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2457 | APE10-dist-out | 9.0747 | APE9-dist-in | 3.5643 | Q207D | None | None | XRAY | 1.3 | 0.161 | 0.181 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s87 | 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 | 5S87B | Q04771 | 205 | 499 | 509.0 | LU8:501,XKD:505 | Type1,Allosteric | Inactive | DFGin | 6.9646 | 13.3873 | BLAminus | -125.7, 164.87 | 74.71, 88.13 | -101.5, 22.91 | 303.75, 177.62 | -68.86, -17.71 | in-out | in | 8.8328 | Saltbr-out | 4.7493 | HRD-in | -82.36, -52.31 | 79.91, -1.72 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.92 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.25, 165.32 | APE9-dihe-na | -62.4, 164.8 | APE8-dihe-in | -61.06, 127.57 | APE8-rot-in | 297.97 | APE67-dihe-in | -58.73, -29.86 | -59.37, -42.06 | APE12-dist-in | 10.2433 | APE11-dist-out | 6.1731 | APE10-dist-out | 8.9694 | APE9-dist-in | 3.6795 | Q207D | None | None | XRAY | 1.3 | 0.161 | 0.181 | B | 301.0 | 290.0 | 5 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s87 | 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 | 5S87A | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.356 | 13.334 | BLAminus | -124.64, 162.22 | 77.24, 89.92 | -101.8, 26.16 | 301.34, 177.73 | -70.64, -14.84 | in-out | in | 9.288 | Saltbr-out | 6.0745 | HRD-in | -77.97, -54.71 | 79.68, 0.35 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9318 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -122.28, 171.55 | APE9-dihe-na | -60.97, 165.72 | APE8-dihe-in | -65.13, 123.33 | APE8-rot-in | 301.16 | APE67-dihe-in | -56.7, -32.97 | -59.78, -39.02 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2457 | APE10-dist-out | 9.0747 | APE9-dist-in | 3.5643 | Q207D | None | None | XRAY | 1.3 | 0.161 | 0.181 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s87 | 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 |
|---|