| 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 | 5S7KB | Q04771 | 205 | 499 | 509.0 | LU8:501,XEJ:504 | Type1,Allosteric | Inactive | DFGin | 6.9806 | 13.2701 | BLAminus | -124.3, 164.86 | 75.9, 87.47 | -102.78, 21.12 | 305.49, 0.35 | -65.97, -18.91 | in-out | in | 8.8339 | Saltbr-out | 4.6466 | HRD-in | -79.74, -53.13 | 79.6, -2.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8589 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.28, 163.22 | APE9-dihe-na | -60.14, 169.9 | APE8-dihe-in | -64.39, 127.18 | APE8-rot-in | 298.46 | APE67-dihe-in | -57.76, -29.28 | -59.11, -42.6 | APE12-dist-in | 10.4215 | APE11-dist-out | 6.3009 | APE10-dist-out | 8.9738 | APE9-dist-in | 3.6767 | None | None | None | XRAY | 1.31 | 0.162 | 0.188 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7k | 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 | 5S7KA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:506,LU8:507,XEJ:508 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3571 | 13.2978 | BLAminus | -121.51, 161.1 | 74.44, 89.19 | -99.73, 25.08 | 301.6, 0.3 | -69.43, -16.12 | in-out | in | 9.3172 | Saltbr-out | 6.0158 | HRD-in | -77.56, -55.15 | 80.71, -0.51 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.9289 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -93.42, -15.71 | APE9-dihe-na | -77.62, 169.4 | APE8-dihe-in | -59.03, 123.75 | APE8-rot-in | 304.14 | APE67-dihe-in | -58.63, -30.05 | -60.7, -39.73 | APE12-dist-none | 999.0 | APE11-dist-in | 11.7963 | APE10-dist-in | 6.0089 | APE9-dist-in | 3.542 | None | None | None | XRAY | 1.31 | 0.162 | 0.188 | A | 301.0 | 285.0 | 13 | 32 | 21 | 11 | [[207, 497]] | 1.0 | 5s7k | 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 | 5S7KB | Q04771 | 205 | 499 | 509.0 | LU8:501,XEJ:504 | Type1,Allosteric | Inactive | DFGin | 6.9806 | 13.2701 | BLAminus | -124.3, 164.86 | 75.9, 87.47 | -102.78, 21.12 | 305.49, 0.35 | -65.97, -18.91 | in-out | in | 8.8339 | Saltbr-out | 4.6466 | HRD-in | -79.74, -53.13 | 79.6, -2.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8589 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.28, 163.22 | APE9-dihe-na | -60.14, 169.9 | APE8-dihe-in | -64.39, 127.18 | APE8-rot-in | 298.46 | APE67-dihe-in | -57.76, -29.28 | -59.11, -42.6 | APE12-dist-in | 10.4215 | APE11-dist-out | 6.3009 | APE10-dist-out | 8.9738 | APE9-dist-in | 3.6767 | None | None | None | XRAY | 1.31 | 0.162 | 0.188 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7k | 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 | 5S7KA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:506,LU8:507,XEJ:508 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3571 | 13.2978 | BLAminus | -121.51, 161.1 | 74.44, 89.19 | -99.73, 25.08 | 301.6, 0.3 | -69.43, -16.12 | in-out | in | 9.3172 | Saltbr-out | 6.0158 | HRD-in | -77.56, -55.15 | 80.71, -0.51 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.9289 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -93.42, -15.71 | APE9-dihe-na | -77.62, 169.4 | APE8-dihe-in | -59.03, 123.75 | APE8-rot-in | 304.14 | APE67-dihe-in | -58.63, -30.05 | -60.7, -39.73 | APE12-dist-none | 999.0 | APE11-dist-in | 11.7963 | APE10-dist-in | 6.0089 | APE9-dist-in | 3.542 | None | None | None | XRAY | 1.31 | 0.162 | 0.188 | A | 301.0 | 285.0 | 13 | 32 | 21 | 11 | [[207, 497]] | 1.0 | 5s7k | 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 |
|---|