| 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 | 5S7AB | Q04771 | 205 | 499 | 509.0 | LU8:501,T5V:505,T5V:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0387 | 13.38 | BLAminus | -126.41, 163.07 | 76.94, 87.35 | -100.8, 22.69 | 302.52, 175.53 | -70.21, -15.13 | in-out | in | 8.793 | Saltbr-out | 4.7212 | HRD-in | -77.59, -56.91 | 81.94, -2.79 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9306 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -121.27, 167.32 | APE9-dihe-na | -61.57, 164.52 | APE8-dihe-in | -61.32, 127.79 | APE8-rot-in | 299.15 | APE67-dihe-in | -59.77, -26.87 | -62.23, -39.78 | APE12-dist-in | 10.3297 | APE11-dist-out | 6.2327 | APE10-dist-out | 8.9798 | APE9-dist-in | 3.8335 | Q207D | None | None | XRAY | 1.3 | 0.16 | 0.18 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7a | 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 | 5S7AA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,T5V:509,T5V:510 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.342 | 13.3138 | BLAminus | -121.52, 160.72 | 75.85, 90.49 | -101.87, 26.96 | 302.71, 179.1 | -70.78, -16.97 | in-out | in | 9.1949 | Saltbr-out | 6.1794 | HRD-in | -77.37, -53.71 | 77.98, -0.37 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9196 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -125.86, 170.85 | APE9-dihe-na | -58.96, 161.85 | APE8-dihe-in | -63.33, 122.4 | APE8-rot-in | 301.84 | APE67-dihe-in | -56.7, -33.07 | -63.45, -35.84 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3662 | APE10-dist-out | 8.8519 | APE9-dist-in | 3.6683 | Q207D | None | None | XRAY | 1.3 | 0.16 | 0.18 | A | 301.0 | 285.0 | 14 | 32 | 20 | 12 | [[207, 497]] | 1.0 | 5s7a | 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 | 5S7AB | Q04771 | 205 | 499 | 509.0 | LU8:501,T5V:505,T5V:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0387 | 13.38 | BLAminus | -126.41, 163.07 | 76.94, 87.35 | -100.8, 22.69 | 302.52, 175.53 | -70.21, -15.13 | in-out | in | 8.793 | Saltbr-out | 4.7212 | HRD-in | -77.59, -56.91 | 81.94, -2.79 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9306 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -121.27, 167.32 | APE9-dihe-na | -61.57, 164.52 | APE8-dihe-in | -61.32, 127.79 | APE8-rot-in | 299.15 | APE67-dihe-in | -59.77, -26.87 | -62.23, -39.78 | APE12-dist-in | 10.3297 | APE11-dist-out | 6.2327 | APE10-dist-out | 8.9798 | APE9-dist-in | 3.8335 | Q207D | None | None | XRAY | 1.3 | 0.16 | 0.18 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7a | 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 | 5S7AA | Q04771 | 201 | 499 | 509.0 | LU8:501,LU8:507,LU8:508,T5V:509,T5V:510 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.342 | 13.3138 | BLAminus | -121.52, 160.72 | 75.85, 90.49 | -101.87, 26.96 | 302.71, 179.1 | -70.78, -16.97 | in-out | in | 9.1949 | Saltbr-out | 6.1794 | HRD-in | -77.37, -53.71 | 77.98, -0.37 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9196 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -125.86, 170.85 | APE9-dihe-na | -58.96, 161.85 | APE8-dihe-in | -63.33, 122.4 | APE8-rot-in | 301.84 | APE67-dihe-in | -56.7, -33.07 | -63.45, -35.84 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3662 | APE10-dist-out | 8.8519 | APE9-dist-in | 3.6683 | Q207D | None | None | XRAY | 1.3 | 0.16 | 0.18 | A | 301.0 | 285.0 | 14 | 32 | 20 | 12 | [[207, 497]] | 1.0 | 5s7a | 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 |
|---|