| 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 | 5S7SB | Q04771 | 205 | 499 | 509.0 | LU8:501,09V:505 | Type1,Allosteric | Inactive | DFGin | 6.9873 | 13.4064 | BLAminus | -127.22, 162.49 | 75.55, 89.77 | -103.58, 21.52 | 302.17, 178.46 | -71.16, -15.05 | in-out | in | 8.8785 | Saltbr-out | 4.7655 | HRD-in | -78.6, -54.23 | 80.1, -1.5 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9249 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -118.31, 165.17 | APE9-dihe-na | -61.08, 163.96 | APE8-dihe-in | -59.96, 128.29 | APE8-rot-in | 298.36 | APE67-dihe-in | -59.32, -26.33 | -61.06, -42.91 | APE12-dist-in | 10.2601 | APE11-dist-out | 6.1893 | APE10-dist-out | 9.0191 | APE9-dist-in | 3.7777 | Q207D | None | None | XRAY | 1.3 | 0.153 | 0.171 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7s | 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 | 5S7SA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,09V:510 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3742 | 13.2602 | BLAminus | -125.11, 163.99 | 74.48, 91.32 | -103.07, 26.34 | 302.08, 178.93 | -70.93, -18.68 | in-out | in | 9.1341 | Saltbr-out | 5.9366 | HRD-in | -77.09, -53.7 | 75.14, 2.55 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9167 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.89, 171.8 | APE9-dihe-na | -59.35, 163.03 | APE8-dihe-in | -63.02, 122.62 | APE8-rot-in | 301.85 | APE67-dihe-in | -55.53, -31.77 | -61.45, -39.86 | APE12-dist-in | 10.5844 | APE11-dist-out | 6.3931 | APE10-dist-out | 8.796 | APE9-dist-in | 3.663 | Q207D | None | None | XRAY | 1.3 | 0.153 | 0.171 | A | 301.0 | 287.0 | 11 | 32 | 23 | 9 | [[207, 497]] | 1.0 | 5s7s | 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 | 5S7SB | Q04771 | 205 | 499 | 509.0 | LU8:501,09V:505 | Type1,Allosteric | Inactive | DFGin | 6.9873 | 13.4064 | BLAminus | -127.22, 162.49 | 75.55, 89.77 | -103.58, 21.52 | 302.17, 178.46 | -71.16, -15.05 | in-out | in | 8.8785 | Saltbr-out | 4.7655 | HRD-in | -78.6, -54.23 | 80.1, -1.5 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9249 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -118.31, 165.17 | APE9-dihe-na | -61.08, 163.96 | APE8-dihe-in | -59.96, 128.29 | APE8-rot-in | 298.36 | APE67-dihe-in | -59.32, -26.33 | -61.06, -42.91 | APE12-dist-in | 10.2601 | APE11-dist-out | 6.1893 | APE10-dist-out | 9.0191 | APE9-dist-in | 3.7777 | Q207D | None | None | XRAY | 1.3 | 0.153 | 0.171 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7s | 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 | 5S7SA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,09V:510 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3742 | 13.2602 | BLAminus | -125.11, 163.99 | 74.48, 91.32 | -103.07, 26.34 | 302.08, 178.93 | -70.93, -18.68 | in-out | in | 9.1341 | Saltbr-out | 5.9366 | HRD-in | -77.09, -53.7 | 75.14, 2.55 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9167 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.89, 171.8 | APE9-dihe-na | -59.35, 163.03 | APE8-dihe-in | -63.02, 122.62 | APE8-rot-in | 301.85 | APE67-dihe-in | -55.53, -31.77 | -61.45, -39.86 | APE12-dist-in | 10.5844 | APE11-dist-out | 6.3931 | APE10-dist-out | 8.796 | APE9-dist-in | 3.663 | Q207D | None | None | XRAY | 1.3 | 0.153 | 0.171 | A | 301.0 | 287.0 | 11 | 32 | 23 | 9 | [[207, 497]] | 1.0 | 5s7s | 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 |
|---|