| 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 | 5S7TB | Q04771 | 205 | 498 | 509.0 | LU8:501,XGJ:505,XGJ:506,XGJ:507 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.3485 | 13.3837 | BLAminus | -130.84, 165.78 | 74.23, 86.23 | -101.88, 22.54 | 301.68, 171.79 | -65.62, -21.79 | in-out | in | 8.8425 | Saltbr-out | 4.3703 | HRD-in | -75.87, -54.78 | 79.04, -1.82 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9373 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -106.86, 165.74 | APE9-dihe-na | -60.63, 163.96 | APE8-dihe-in | -61.22, 126.89 | APE8-rot-in | 299.34 | APE67-dihe-in | -62.98, -26.85 | -63.53, -36.43 | APE12-dist-in | 10.5242 | APE11-dist-out | 6.9677 | APE10-dist-out | 9.1121 | APE9-dist-in | 3.8863 | Q207D | None | None | XRAY | 1.3 | 0.155 | 0.174 | B | 301.0 | 294.0 | 0 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7t | 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 | 5S7TA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XGJ:509,XGJ:510,XGJ:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3641 | 13.3581 | BLAminus | -122.53, 161.24 | 78.81, 92.17 | -103.84, 26.27 | 299.68, 1.07 | -70.27, -17.35 | in-out | in | 9.1872 | Saltbr-out | 6.1023 | HRD-in | -73.55, -56.12 | 78.98, 0.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9448 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -126.64, 169.46 | APE9-dihe-na | -62.74, 163.72 | APE8-dihe-in | -63.21, 123.01 | APE8-rot-in | 300.97 | APE67-dihe-in | -58.38, -31.17 | -61.88, -38.7 | APE12-dist-none | 999.0 | APE11-dist-out | 6.217 | APE10-dist-out | 8.8776 | APE9-dist-in | 3.7084 | Q207D | None | None | XRAY | 1.3 | 0.155 | 0.174 | A | 301.0 | 284.0 | 14 | 32 | 20 | 12 | [[207, 497]] | 1.0 | 5s7t | 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 | 5S7TB | Q04771 | 205 | 498 | 509.0 | LU8:501,XGJ:505,XGJ:506,XGJ:507 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.3485 | 13.3837 | BLAminus | -130.84, 165.78 | 74.23, 86.23 | -101.88, 22.54 | 301.68, 171.79 | -65.62, -21.79 | in-out | in | 8.8425 | Saltbr-out | 4.3703 | HRD-in | -75.87, -54.78 | 79.04, -1.82 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9373 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -106.86, 165.74 | APE9-dihe-na | -60.63, 163.96 | APE8-dihe-in | -61.22, 126.89 | APE8-rot-in | 299.34 | APE67-dihe-in | -62.98, -26.85 | -63.53, -36.43 | APE12-dist-in | 10.5242 | APE11-dist-out | 6.9677 | APE10-dist-out | 9.1121 | APE9-dist-in | 3.8863 | Q207D | None | None | XRAY | 1.3 | 0.155 | 0.174 | B | 301.0 | 294.0 | 0 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7t | 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 | 5S7TA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XGJ:509,XGJ:510,XGJ:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3641 | 13.3581 | BLAminus | -122.53, 161.24 | 78.81, 92.17 | -103.84, 26.27 | 299.68, 1.07 | -70.27, -17.35 | in-out | in | 9.1872 | Saltbr-out | 6.1023 | HRD-in | -73.55, -56.12 | 78.98, 0.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9448 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -126.64, 169.46 | APE9-dihe-na | -62.74, 163.72 | APE8-dihe-in | -63.21, 123.01 | APE8-rot-in | 300.97 | APE67-dihe-in | -58.38, -31.17 | -61.88, -38.7 | APE12-dist-none | 999.0 | APE11-dist-out | 6.217 | APE10-dist-out | 8.8776 | APE9-dist-in | 3.7084 | Q207D | None | None | XRAY | 1.3 | 0.155 | 0.174 | A | 301.0 | 284.0 | 14 | 32 | 20 | 12 | [[207, 497]] | 1.0 | 5s7t | 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 |
|---|