| 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 | 5S82B | Q04771 | 205 | 499 | 509.0 | LU8:501,LAC:505 | Type1,Allosteric | Inactive | DFGin | 6.6555 | 13.3978 | BLAminus | -126.04, 165.16 | 75.17, 84.42 | -92.96, 20.32 | 298.14, 1.79 | -72.8, -17.41 | in-out | in | 8.9053 | Saltbr-out | 4.4972 | HRD-in | -74.85, -51.79 | 76.63, 2.28 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8295 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.55, 160.28 | APE9-dihe-na | 116.12, -172.15 | APE8-dihe-in | -92.31, 127.42 | APE8-rot-in | 312.53 | APE67-dihe-in | -58.12, -32.21 | -55.48, -45.17 | APE12-dist-in | 11.3772 | APE11-dist-in | 12.1036 | APE10-dist-in | 6.2531 | APE9-dist-in | 3.7924 | Q207D | None | None | XRAY | 1.71 | 0.211 | 0.253 | B | 301.0 | 284.0 | 11 | 32 | 25 | 7 | [[207, 497]] | 1.0 | 5s82 | 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 | 5S82A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.468 | 13.2543 | BLAminus | -122.58, 165.4 | 75.09, 85.58 | -98.64, 22.96 | 294.39, 0.35 | -56.95, -25.74 | in-out | in | 9.3363 | Saltbr-out | 5.524 | HRD-in | -76.5, -58.03 | 77.63, 6.82 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8593 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -106.37, 156.71 | APE9-dihe-na | 110.11, -167.89 | APE8-dihe-in | -91.26, 123.24 | APE8-rot-in | 309.79 | APE67-dihe-in | -54.4, -31.68 | -54.65, -45.23 | APE12-dist-none | 999.0 | APE11-dist-in | 10.8938 | APE10-dist-in | 6.4362 | APE9-dist-in | 3.9819 | Q207D | None | None | XRAY | 1.71 | 0.211 | 0.253 | A | 301.0 | 279.0 | 19 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s82 | 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 | 5S82B | Q04771 | 205 | 499 | 509.0 | LU8:501,LAC:505 | Type1,Allosteric | Inactive | DFGin | 6.6555 | 13.3978 | BLAminus | -126.04, 165.16 | 75.17, 84.42 | -92.96, 20.32 | 298.14, 1.79 | -72.8, -17.41 | in-out | in | 8.9053 | Saltbr-out | 4.4972 | HRD-in | -74.85, -51.79 | 76.63, 2.28 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8295 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -116.55, 160.28 | APE9-dihe-na | 116.12, -172.15 | APE8-dihe-in | -92.31, 127.42 | APE8-rot-in | 312.53 | APE67-dihe-in | -58.12, -32.21 | -55.48, -45.17 | APE12-dist-in | 11.3772 | APE11-dist-in | 12.1036 | APE10-dist-in | 6.2531 | APE9-dist-in | 3.7924 | Q207D | None | None | XRAY | 1.71 | 0.211 | 0.253 | B | 301.0 | 284.0 | 11 | 32 | 25 | 7 | [[207, 497]] | 1.0 | 5s82 | 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 | 5S82A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.468 | 13.2543 | BLAminus | -122.58, 165.4 | 75.09, 85.58 | -98.64, 22.96 | 294.39, 0.35 | -56.95, -25.74 | in-out | in | 9.3363 | Saltbr-out | 5.524 | HRD-in | -76.5, -58.03 | 77.63, 6.82 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8593 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -106.37, 156.71 | APE9-dihe-na | 110.11, -167.89 | APE8-dihe-in | -91.26, 123.24 | APE8-rot-in | 309.79 | APE67-dihe-in | -54.4, -31.68 | -54.65, -45.23 | APE12-dist-none | 999.0 | APE11-dist-in | 10.8938 | APE10-dist-in | 6.4362 | APE9-dist-in | 3.9819 | Q207D | None | None | XRAY | 1.71 | 0.211 | 0.253 | A | 301.0 | 279.0 | 19 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s82 | 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 |
|---|