| 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 | 5S7MB | Q04771 | 208 | 499 | 509.0 | LU8:501,HVK:505 | Type1,Allosteric | Inactive | DFGin | 7.009 | 13.3206 | BLAminus | -124.89, 160.91 | 76.23, 87.23 | -100.03, 22.28 | 300.52, 174.89 | -68.18, -14.07 | in-out | in | 8.451 | Saltbr-out | 4.2021 | HRD-in | -76.72, -54.96 | 80.02, -2.85 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9243 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.58, 168.17 | APE9-dihe-na | -62.95, 162.95 | APE8-dihe-in | -58.04, 127.45 | APE8-rot-in | 298.56 | APE67-dihe-in | -59.18, -25.23 | -62.3, -40.69 | APE12-dist-in | 10.3695 | APE11-dist-out | 6.2098 | APE10-dist-out | 8.9384 | APE9-dist-in | 3.8142 | Q207D | None | None | XRAY | 1.32 | 0.171 | 0.195 | B | 301.0 | 290.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7m | 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 | 5S7MA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,HVK:508,HVK:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.2948 | 13.3693 | BLAminus | -125.86, 158.69 | 77.31, 90.22 | -102.58, 22.57 | 301.89, 179.15 | -62.4, -27.33 | in-out | in | 9.2746 | Saltbr-out | 6.0388 | HRD-in | -76.09, -53.81 | 76.66, 2.88 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9008 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -128.0, 172.86 | APE9-dihe-na | -61.78, 157.6 | APE8-dihe-in | -61.33, 123.11 | APE8-rot-in | 304.71 | APE67-dihe-in | -54.75, -34.14 | -63.89, -37.36 | APE12-dist-in | 11.0098 | APE11-dist-out | 6.3161 | APE10-dist-out | 8.7728 | APE9-dist-in | 3.828 | Q207D | None | None | XRAY | 1.32 | 0.171 | 0.195 | A | 301.0 | 285.0 | 13 | 32 | 22 | 10 | [[207, 497]] | 1.0 | 5s7m | 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 | 5S7MB | Q04771 | 208 | 499 | 509.0 | LU8:501,HVK:505 | Type1,Allosteric | Inactive | DFGin | 7.009 | 13.3206 | BLAminus | -124.89, 160.91 | 76.23, 87.23 | -100.03, 22.28 | 300.52, 174.89 | -68.18, -14.07 | in-out | in | 8.451 | Saltbr-out | 4.2021 | HRD-in | -76.72, -54.96 | 80.02, -2.85 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9243 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.58, 168.17 | APE9-dihe-na | -62.95, 162.95 | APE8-dihe-in | -58.04, 127.45 | APE8-rot-in | 298.56 | APE67-dihe-in | -59.18, -25.23 | -62.3, -40.69 | APE12-dist-in | 10.3695 | APE11-dist-out | 6.2098 | APE10-dist-out | 8.9384 | APE9-dist-in | 3.8142 | Q207D | None | None | XRAY | 1.32 | 0.171 | 0.195 | B | 301.0 | 290.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7m | 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 | 5S7MA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,HVK:508,HVK:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.2948 | 13.3693 | BLAminus | -125.86, 158.69 | 77.31, 90.22 | -102.58, 22.57 | 301.89, 179.15 | -62.4, -27.33 | in-out | in | 9.2746 | Saltbr-out | 6.0388 | HRD-in | -76.09, -53.81 | 76.66, 2.88 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9008 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -128.0, 172.86 | APE9-dihe-na | -61.78, 157.6 | APE8-dihe-in | -61.33, 123.11 | APE8-rot-in | 304.71 | APE67-dihe-in | -54.75, -34.14 | -63.89, -37.36 | APE12-dist-in | 11.0098 | APE11-dist-out | 6.3161 | APE10-dist-out | 8.7728 | APE9-dist-in | 3.828 | Q207D | None | None | XRAY | 1.32 | 0.171 | 0.195 | A | 301.0 | 285.0 | 13 | 32 | 22 | 10 | [[207, 497]] | 1.0 | 5s7m | 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 |
|---|