| 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 | 5S7PB | Q04771 | 208 | 499 | 509.0 | LU8:501 | Type1 | Inactive | DFGin | 7.041 | 13.4201 | BLAminus | -127.32, 160.61 | 79.2, 88.36 | -101.38, 20.66 | 301.74, 174.56 | -69.08, -14.59 | in-out | in | 8.8375 | Saltbr-out | 4.7494 | HRD-in | -79.58, -51.94 | 76.5, -1.66 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9461 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.23, 166.15 | APE9-dihe-na | -60.81, 164.72 | APE8-dihe-in | -59.48, 128.85 | APE8-rot-in | 300.38 | APE67-dihe-in | -62.62, -25.57 | -64.98, -36.96 | APE12-dist-in | 10.458 | APE11-dist-out | 6.1919 | APE10-dist-out | 8.9709 | APE9-dist-in | 3.8702 | Q207D | None | None | XRAY | 1.31 | 0.158 | 0.176 | B | 301.0 | 289.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7p | 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 | 5S7PA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,V1L:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3631 | 13.3516 | BLAminus | -121.35, 161.97 | 76.5, 90.18 | -103.45, 27.08 | 300.94, 178.65 | -69.09, -20.15 | in-out | in | 9.1735 | Saltbr-out | 6.1815 | HRD-in | -76.2, -55.65 | 77.56, 1.63 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.934 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -124.42, 170.99 | APE9-dihe-na | -65.1, 166.64 | APE8-dihe-in | -64.52, 122.28 | APE8-rot-in | 301.0 | APE67-dihe-in | -57.28, -33.44 | -60.97, -37.49 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3362 | APE10-dist-out | 8.8101 | APE9-dist-in | 3.6483 | Q207D | None | None | XRAY | 1.31 | 0.158 | 0.176 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7p | 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 | 5S7PB | Q04771 | 208 | 499 | 509.0 | LU8:501 | Type1 | Inactive | DFGin | 7.041 | 13.4201 | BLAminus | -127.32, 160.61 | 79.2, 88.36 | -101.38, 20.66 | 301.74, 174.56 | -69.08, -14.59 | in-out | in | 8.8375 | Saltbr-out | 4.7494 | HRD-in | -79.58, -51.94 | 76.5, -1.66 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9461 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.23, 166.15 | APE9-dihe-na | -60.81, 164.72 | APE8-dihe-in | -59.48, 128.85 | APE8-rot-in | 300.38 | APE67-dihe-in | -62.62, -25.57 | -64.98, -36.96 | APE12-dist-in | 10.458 | APE11-dist-out | 6.1919 | APE10-dist-out | 8.9709 | APE9-dist-in | 3.8702 | Q207D | None | None | XRAY | 1.31 | 0.158 | 0.176 | B | 301.0 | 289.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7p | 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 | 5S7PA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,V1L:509 | Type1,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.3631 | 13.3516 | BLAminus | -121.35, 161.97 | 76.5, 90.18 | -103.45, 27.08 | 300.94, 178.65 | -69.09, -20.15 | in-out | in | 9.1735 | Saltbr-out | 6.1815 | HRD-in | -76.2, -55.65 | 77.56, 1.63 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.934 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -124.42, 170.99 | APE9-dihe-na | -65.1, 166.64 | APE8-dihe-in | -64.52, 122.28 | APE8-rot-in | 301.0 | APE67-dihe-in | -57.28, -33.44 | -60.97, -37.49 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3362 | APE10-dist-out | 8.8101 | APE9-dist-in | 3.6483 | Q207D | None | None | XRAY | 1.31 | 0.158 | 0.176 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7p | 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 |
|---|