| 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 | 5S83B | Q04771 | 205 | 499 | 509.0 | LU8:501 | Type1 | Inactive | DFGin | 7.0334 | 13.4784 | BLAminus | -124.19, 162.22 | 78.06, 86.57 | -101.53, 19.96 | 300.51, 175.3 | -64.11, -18.65 | in-out | in | 8.8905 | Saltbr-out | 4.771 | HRD-in | -75.73, -55.05 | 82.15, -4.6 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9542 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.26, 164.39 | APE9-dihe-na | -61.1, 166.22 | APE8-dihe-in | -61.61, 128.13 | APE8-rot-in | 300.62 | APE67-dihe-in | -58.81, -29.24 | -62.24, -41.18 | APE12-dist-in | 10.4236 | APE11-dist-out | 6.2854 | APE10-dist-out | 9.037 | APE9-dist-in | 3.8558 | Q207D | None | None | XRAY | 1.33 | 0.161 | 0.185 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s83 | 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 | 5S83A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,XJY:510 | Type1,Allosteric,Allosteric,Type3 | Inactive | DFGin | 8.4423 | 13.2233 | BLAminus | -121.45, 166.08 | 75.52, 89.79 | -103.21, 23.07 | 300.9, 0.69 | -66.79, -19.18 | in-out | in | 8.9661 | Saltbr-out | 5.6322 | HRD-in | -77.39, -55.22 | 76.55, 2.24 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9096 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.02, 170.52 | APE9-dihe-na | -63.69, 168.74 | APE8-dihe-in | -66.61, 121.49 | APE8-rot-in | 303.57 | APE67-dihe-in | -53.26, -35.15 | -59.02, -40.84 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3416 | APE10-dist-out | 8.8704 | APE9-dist-in | 3.7557 | Q207D | None | None | XRAY | 1.33 | 0.161 | 0.185 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s83 | 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 | 5S83B | Q04771 | 205 | 499 | 509.0 | LU8:501 | Type1 | Inactive | DFGin | 7.0334 | 13.4784 | BLAminus | -124.19, 162.22 | 78.06, 86.57 | -101.53, 19.96 | 300.51, 175.3 | -64.11, -18.65 | in-out | in | 8.8905 | Saltbr-out | 4.771 | HRD-in | -75.73, -55.05 | 82.15, -4.6 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9542 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.26, 164.39 | APE9-dihe-na | -61.1, 166.22 | APE8-dihe-in | -61.61, 128.13 | APE8-rot-in | 300.62 | APE67-dihe-in | -58.81, -29.24 | -62.24, -41.18 | APE12-dist-in | 10.4236 | APE11-dist-out | 6.2854 | APE10-dist-out | 9.037 | APE9-dist-in | 3.8558 | Q207D | None | None | XRAY | 1.33 | 0.161 | 0.185 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s83 | 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 | 5S83A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,XJY:510 | Type1,Allosteric,Allosteric,Type3 | Inactive | DFGin | 8.4423 | 13.2233 | BLAminus | -121.45, 166.08 | 75.52, 89.79 | -103.21, 23.07 | 300.9, 0.69 | -66.79, -19.18 | in-out | in | 8.9661 | Saltbr-out | 5.6322 | HRD-in | -77.39, -55.22 | 76.55, 2.24 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9096 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.02, 170.52 | APE9-dihe-na | -63.69, 168.74 | APE8-dihe-in | -66.61, 121.49 | APE8-rot-in | 303.57 | APE67-dihe-in | -53.26, -35.15 | -59.02, -40.84 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3416 | APE10-dist-out | 8.8704 | APE9-dist-in | 3.7557 | Q207D | None | None | XRAY | 1.33 | 0.161 | 0.185 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s83 | 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 |
|---|