| 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 | 5S8BB | Q04771 | 205 | 499 | 509.0 | LU8:501,XFV:505,XFV:506,XFV:507 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 6.8865 | 13.2682 | BLAminus | -123.76, 160.92 | 77.33, 89.17 | -99.67, 18.5 | 303.55, 1.64 | -66.62, -18.66 | in-out | in | 8.6237 | Saltbr-out | 4.5819 | HRD-in | -80.97, -53.82 | 77.81, 1.71 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8434 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.23, 169.28 | APE9-dihe-na | -63.35, 164.6 | APE8-dihe-in | -57.58, 127.02 | APE8-rot-in | 306.31 | APE67-dihe-in | -56.16, -27.82 | -54.33, -48.01 | APE12-dist-in | 10.2869 | APE11-dist-out | 6.129 | APE10-dist-out | 8.9433 | APE9-dist-in | 3.7756 | Q207D | None | None | XRAY | 1.64 | 0.2 | 0.233 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s8b | 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 | 5S8BA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XFV:509,XFV:510,XFV:511,XFV:512 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3245 | 13.2716 | BLAminus | -118.75, 157.39 | 80.5, 89.5 | -103.48, 23.68 | 297.02, 5.33 | -69.81, -17.79 | in-out | in | 9.013 | Saltbr-out | 5.9816 | HRD-in | -76.49, -52.01 | 73.71, 3.51 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8648 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -132.81, 169.84 | APE9-dihe-na | -47.57, 153.77 | APE8-dihe-in | -59.87, 123.35 | APE8-rot-in | 304.85 | APE67-dihe-in | -51.72, -35.23 | -61.3, -40.47 | APE12-dist-none | 999.0 | APE11-dist-out | 6.4138 | APE10-dist-out | 8.8102 | APE9-dist-in | 3.6992 | Q207D | None | None | XRAY | 1.64 | 0.2 | 0.233 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s8b | 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 | 5S8BB | Q04771 | 205 | 499 | 509.0 | LU8:501,XFV:505,XFV:506,XFV:507 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 6.8865 | 13.2682 | BLAminus | -123.76, 160.92 | 77.33, 89.17 | -99.67, 18.5 | 303.55, 1.64 | -66.62, -18.66 | in-out | in | 8.6237 | Saltbr-out | 4.5819 | HRD-in | -80.97, -53.82 | 77.81, 1.71 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8434 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.23, 169.28 | APE9-dihe-na | -63.35, 164.6 | APE8-dihe-in | -57.58, 127.02 | APE8-rot-in | 306.31 | APE67-dihe-in | -56.16, -27.82 | -54.33, -48.01 | APE12-dist-in | 10.2869 | APE11-dist-out | 6.129 | APE10-dist-out | 8.9433 | APE9-dist-in | 3.7756 | Q207D | None | None | XRAY | 1.64 | 0.2 | 0.233 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s8b | 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 | 5S8BA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XFV:509,XFV:510,XFV:511,XFV:512 | Type1,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3245 | 13.2716 | BLAminus | -118.75, 157.39 | 80.5, 89.5 | -103.48, 23.68 | 297.02, 5.33 | -69.81, -17.79 | in-out | in | 9.013 | Saltbr-out | 5.9816 | HRD-in | -76.49, -52.01 | 73.71, 3.51 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8648 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -132.81, 169.84 | APE9-dihe-na | -47.57, 153.77 | APE8-dihe-in | -59.87, 123.35 | APE8-rot-in | 304.85 | APE67-dihe-in | -51.72, -35.23 | -61.3, -40.47 | APE12-dist-none | 999.0 | APE11-dist-out | 6.4138 | APE10-dist-out | 8.8102 | APE9-dist-in | 3.6992 | Q207D | None | None | XRAY | 1.64 | 0.2 | 0.233 | A | 301.0 | 284.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s8b | 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 |
|---|