| 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 | 5S7NB | Q04771 | 207 | 499 | 509.0 | LU8:501,2AI:505 | Type1,Allosteric | Inactive | DFGin | 7.0053 | 13.4202 | BLAminus | -126.13, 161.61 | 77.78, 88.49 | -101.78, 20.71 | 303.39, 175.45 | -67.06, -19.53 | in-out | in | 8.8596 | Saltbr-out | 4.7161 | HRD-in | -78.53, -54.27 | 81.6, -6.08 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9573 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.2, 164.62 | APE9-dihe-na | -57.6, 161.75 | APE8-dihe-in | -58.85, 126.75 | APE8-rot-in | 300.18 | APE67-dihe-in | -61.19, -26.66 | -59.93, -40.36 | APE12-dist-in | 10.2703 | APE11-dist-out | 6.1513 | APE10-dist-out | 9.0073 | APE9-dist-in | 3.7557 | Q207D | None | None | XRAY | 1.3 | 0.163 | 0.186 | B | 301.0 | 290.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7n | 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 | 5S7NA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,2AI:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3692 | 13.3273 | BLAminus | -120.76, 160.23 | 77.83, 89.81 | -101.82, 25.77 | 300.77, 176.65 | -67.07, -19.31 | in-out | in | 9.1914 | Saltbr-out | 6.1991 | HRD-in | -78.31, -53.54 | 78.72, -0.87 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9272 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -111.12, 164.18 | APE9-dihe-na | -67.39, 173.07 | APE8-dihe-in | -61.91, 122.38 | APE8-rot-in | 303.15 | APE67-dihe-in | -57.78, -31.63 | -60.2, -38.53 | APE12-dist-none | 999.0 | APE11-dist-out | 7.8661 | APE10-dist-out | 9.1731 | APE9-dist-in | 3.6452 | Q207D | None | None | XRAY | 1.3 | 0.163 | 0.186 | A | 301.0 | 286.0 | 13 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7n | 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 | 5S7NB | Q04771 | 207 | 499 | 509.0 | LU8:501,2AI:505 | Type1,Allosteric | Inactive | DFGin | 7.0053 | 13.4202 | BLAminus | -126.13, 161.61 | 77.78, 88.49 | -101.78, 20.71 | 303.39, 175.45 | -67.06, -19.53 | in-out | in | 8.8596 | Saltbr-out | 4.7161 | HRD-in | -78.53, -54.27 | 81.6, -6.08 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9573 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.2, 164.62 | APE9-dihe-na | -57.6, 161.75 | APE8-dihe-in | -58.85, 126.75 | APE8-rot-in | 300.18 | APE67-dihe-in | -61.19, -26.66 | -59.93, -40.36 | APE12-dist-in | 10.2703 | APE11-dist-out | 6.1513 | APE10-dist-out | 9.0073 | APE9-dist-in | 3.7557 | Q207D | None | None | XRAY | 1.3 | 0.163 | 0.186 | B | 301.0 | 290.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7n | 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 | 5S7NA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,2AI:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3692 | 13.3273 | BLAminus | -120.76, 160.23 | 77.83, 89.81 | -101.82, 25.77 | 300.77, 176.65 | -67.07, -19.31 | in-out | in | 9.1914 | Saltbr-out | 6.1991 | HRD-in | -78.31, -53.54 | 78.72, -0.87 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9272 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -111.12, 164.18 | APE9-dihe-na | -67.39, 173.07 | APE8-dihe-in | -61.91, 122.38 | APE8-rot-in | 303.15 | APE67-dihe-in | -57.78, -31.63 | -60.2, -38.53 | APE12-dist-none | 999.0 | APE11-dist-out | 7.8661 | APE10-dist-out | 9.1731 | APE9-dist-in | 3.6452 | Q207D | None | None | XRAY | 1.3 | 0.163 | 0.186 | A | 301.0 | 286.0 | 13 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7n | 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 |
|---|