| 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 | 5S7YA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3776 | 13.3431 | BLAminus | -121.01, 162.15 | 74.22, 90.85 | -101.18, 24.99 | 303.51, 176.94 | -65.0, -19.5 | in-out | in | 9.2462 | Saltbr-out | 6.2055 | HRD-in | -79.92, -53.25 | 77.89, -1.46 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -125.05, 171.62 | APE9-dihe-na | -63.16, 165.02 | APE8-dihe-in | -61.65, 124.26 | APE8-rot-in | 302.58 | APE67-dihe-in | -56.65, -33.92 | -63.4, -36.98 | APE12-dist-none | 999.0 | APE11-dist-out | 6.068 | APE10-dist-out | 8.8721 | APE9-dist-in | 3.6119 | Q207D | None | None | XRAY | 1.37 | 0.161 | 0.184 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7y | 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 | 5S7YB | Q04771 | 207 | 499 | 509.0 | LU8:501,XJP:505,XJP:506,XJP:507,XJP:508,XJP:509 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0154 | 13.4267 | BLAminus | -126.98, 162.69 | 75.57, 89.14 | -100.94, 21.08 | 303.3, 173.42 | -67.07, -20.24 | in-out | in | 8.8412 | Saltbr-out | 4.7344 | HRD-in | -81.6, -53.06 | 80.61, -4.28 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9288 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.96, 164.75 | APE9-dihe-na | -61.91, 164.34 | APE8-dihe-in | -58.26, 128.88 | APE8-rot-in | 298.27 | APE67-dihe-in | -57.49, -30.88 | -60.34, -41.77 | APE12-dist-in | 10.3261 | APE11-dist-out | 6.153 | APE10-dist-out | 9.0872 | APE9-dist-in | 3.7656 | Q207D | None | None | XRAY | 1.37 | 0.161 | 0.184 | B | 301.0 | 290.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7y | 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 | 5S7YA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3776 | 13.3431 | BLAminus | -121.01, 162.15 | 74.22, 90.85 | -101.18, 24.99 | 303.51, 176.94 | -65.0, -19.5 | in-out | in | 9.2462 | Saltbr-out | 6.2055 | HRD-in | -79.92, -53.25 | 77.89, -1.46 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9029 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -125.05, 171.62 | APE9-dihe-na | -63.16, 165.02 | APE8-dihe-in | -61.65, 124.26 | APE8-rot-in | 302.58 | APE67-dihe-in | -56.65, -33.92 | -63.4, -36.98 | APE12-dist-none | 999.0 | APE11-dist-out | 6.068 | APE10-dist-out | 8.8721 | APE9-dist-in | 3.6119 | Q207D | None | None | XRAY | 1.37 | 0.161 | 0.184 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7y | 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 | 5S7YB | Q04771 | 207 | 499 | 509.0 | LU8:501,XJP:505,XJP:506,XJP:507,XJP:508,XJP:509 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 7.0154 | 13.4267 | BLAminus | -126.98, 162.69 | 75.57, 89.14 | -100.94, 21.08 | 303.3, 173.42 | -67.07, -20.24 | in-out | in | 8.8412 | Saltbr-out | 4.7344 | HRD-in | -81.6, -53.06 | 80.61, -4.28 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9288 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.96, 164.75 | APE9-dihe-na | -61.91, 164.34 | APE8-dihe-in | -58.26, 128.88 | APE8-rot-in | 298.27 | APE67-dihe-in | -57.49, -30.88 | -60.34, -41.77 | APE12-dist-in | 10.3261 | APE11-dist-out | 6.153 | APE10-dist-out | 9.0872 | APE9-dist-in | 3.7656 | Q207D | None | None | XRAY | 1.37 | 0.161 | 0.184 | B | 301.0 | 290.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7y | 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 |
|---|