| 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 | 5S76A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,02A:509,02A:510 | Type1,Allosteric,Allosteric,Allosteric,Type1.5_Back | Inactive | DFGin | 8.3968 | 13.3521 | BLAminus | -125.71, 163.24 | 76.56, 90.11 | -103.29, 26.3 | 299.59, 179.12 | -70.47, -16.36 | in-out | in | 9.1694 | Saltbr-out | 6.1364 | HRD-in | -78.12, -53.94 | 78.79, 0.3 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9104 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -121.64, 170.51 | APE9-dihe-na | -62.2, 167.24 | APE8-dihe-in | -63.35, 123.08 | APE8-rot-in | 302.24 | APE67-dihe-in | -58.65, -29.05 | -63.37, -35.67 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2237 | APE10-dist-out | 8.9115 | APE9-dist-in | 3.6733 | Q207D | None | None | XRAY | 1.31 | 0.156 | 0.173 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s76 | 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 | 5S76B | Q04771 | 205 | 499 | 509.0 | LU8:501,02A:505 | Type1,Type1.5_Back | Inactive | DFGin | 7.0455 | 13.388 | BLAminus | -126.37, 161.8 | 77.8, 87.16 | -99.2, 20.64 | 303.2, 173.97 | -68.3, -17.34 | in-out | in | 8.8877 | Saltbr-out | 4.7352 | HRD-in | -77.8, -54.12 | 78.31, -2.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9422 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -118.39, 162.33 | APE9-dihe-na | -57.18, 164.84 | APE8-dihe-in | -61.8, 127.01 | APE8-rot-in | 299.22 | APE67-dihe-in | -57.98, -30.25 | -60.93, -39.7 | APE12-dist-in | 10.3885 | APE11-dist-out | 6.1918 | APE10-dist-out | 9.0776 | APE9-dist-in | 3.7583 | Q207D | None | None | XRAY | 1.31 | 0.156 | 0.173 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s76 | 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 | 5S76A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,02A:509,02A:510 | Type1,Allosteric,Allosteric,Allosteric,Type1.5_Back | Inactive | DFGin | 8.3968 | 13.3521 | BLAminus | -125.71, 163.24 | 76.56, 90.11 | -103.29, 26.3 | 299.59, 179.12 | -70.47, -16.36 | in-out | in | 9.1694 | Saltbr-out | 6.1364 | HRD-in | -78.12, -53.94 | 78.79, 0.3 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9104 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -121.64, 170.51 | APE9-dihe-na | -62.2, 167.24 | APE8-dihe-in | -63.35, 123.08 | APE8-rot-in | 302.24 | APE67-dihe-in | -58.65, -29.05 | -63.37, -35.67 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2237 | APE10-dist-out | 8.9115 | APE9-dist-in | 3.6733 | Q207D | None | None | XRAY | 1.31 | 0.156 | 0.173 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s76 | 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 | 5S76B | Q04771 | 205 | 499 | 509.0 | LU8:501,02A:505 | Type1,Type1.5_Back | Inactive | DFGin | 7.0455 | 13.388 | BLAminus | -126.37, 161.8 | 77.8, 87.16 | -99.2, 20.64 | 303.2, 173.97 | -68.3, -17.34 | in-out | in | 8.8877 | Saltbr-out | 4.7352 | HRD-in | -77.8, -54.12 | 78.31, -2.4 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9422 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -118.39, 162.33 | APE9-dihe-na | -57.18, 164.84 | APE8-dihe-in | -61.8, 127.01 | APE8-rot-in | 299.22 | APE67-dihe-in | -57.98, -30.25 | -60.93, -39.7 | APE12-dist-in | 10.3885 | APE11-dist-out | 6.1918 | APE10-dist-out | 9.0776 | APE9-dist-in | 3.7583 | Q207D | None | None | XRAY | 1.31 | 0.156 | 0.173 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s76 | 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 |
|---|