| 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 | 5S7BB | Q04771 | 205 | 499 | 509.0 | LU8:501,XH7:506 | Type1,Allosteric | Inactive | DFGin | 7.0215 | 13.362 | BLAminus | -121.46, 161.83 | 78.44, 88.34 | -102.47, 19.49 | 301.42, 173.88 | -65.45, -20.59 | in-out | in | 8.7895 | Saltbr-out | 4.6853 | HRD-in | -74.99, -55.16 | 78.67, -0.58 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9128 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.52, 156.89 | APE9-dihe-na | -51.95, 170.55 | APE8-dihe-in | -69.31, 128.28 | APE8-rot-in | 299.94 | APE67-dihe-in | -63.25, -25.99 | -60.99, -39.27 | APE12-dist-in | 10.4037 | APE11-dist-out | 6.3927 | APE10-dist-out | 9.0949 | APE9-dist-in | 3.8072 | Q207D | None | None | XRAY | 1.32 | 0.169 | 0.195 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7b | 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 | 5S7BA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XH7:509,XH7:510 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4061 | 13.3525 | BLAminus | -122.54, 161.25 | 77.75, 89.14 | -102.53, 25.49 | 298.26, 177.49 | -68.5, -17.41 | in-out | in | 9.1558 | Saltbr-out | 5.9622 | HRD-in | -75.98, -54.72 | 78.12, -0.13 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9081 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -121.74, 156.48 | APE9-dihe-na | -76.58, -177.16 | APE8-dihe-in | -62.22, 124.84 | APE8-rot-in | 304.94 | APE67-dihe-in | -57.93, -31.87 | -59.46, -41.19 | APE12-dist-out | 5.2863 | APE11-dist-in | 8.586 | APE10-dist-out | 9.3111 | APE9-dist-in | 3.6782 | Q207D | None | None | XRAY | 1.32 | 0.169 | 0.195 | A | 301.0 | 285.0 | 13 | 32 | 22 | 10 | [[207, 497]] | 1.0 | 5s7b | 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 | 5S7BB | Q04771 | 205 | 499 | 509.0 | LU8:501,XH7:506 | Type1,Allosteric | Inactive | DFGin | 7.0215 | 13.362 | BLAminus | -121.46, 161.83 | 78.44, 88.34 | -102.47, 19.49 | 301.42, 173.88 | -65.45, -20.59 | in-out | in | 8.7895 | Saltbr-out | 4.6853 | HRD-in | -74.99, -55.16 | 78.67, -0.58 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9128 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -119.52, 156.89 | APE9-dihe-na | -51.95, 170.55 | APE8-dihe-in | -69.31, 128.28 | APE8-rot-in | 299.94 | APE67-dihe-in | -63.25, -25.99 | -60.99, -39.27 | APE12-dist-in | 10.4037 | APE11-dist-out | 6.3927 | APE10-dist-out | 9.0949 | APE9-dist-in | 3.8072 | Q207D | None | None | XRAY | 1.32 | 0.169 | 0.195 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7b | 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 | 5S7BA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,XH7:509,XH7:510 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4061 | 13.3525 | BLAminus | -122.54, 161.25 | 77.75, 89.14 | -102.53, 25.49 | 298.26, 177.49 | -68.5, -17.41 | in-out | in | 9.1558 | Saltbr-out | 5.9622 | HRD-in | -75.98, -54.72 | 78.12, -0.13 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9081 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oioi | APE10-dihe-na | -121.74, 156.48 | APE9-dihe-na | -76.58, -177.16 | APE8-dihe-in | -62.22, 124.84 | APE8-rot-in | 304.94 | APE67-dihe-in | -57.93, -31.87 | -59.46, -41.19 | APE12-dist-out | 5.2863 | APE11-dist-in | 8.586 | APE10-dist-out | 9.3111 | APE9-dist-in | 3.6782 | Q207D | None | None | XRAY | 1.32 | 0.169 | 0.195 | A | 301.0 | 285.0 | 13 | 32 | 22 | 10 | [[207, 497]] | 1.0 | 5s7b | 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 |
|---|