| 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 | 5S75B | Q04771 | 205 | 499 | 509.0 | LU8:501,HUH:505,HUH:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0427 | 13.384 | BLAminus | -125.56, 161.73 | 76.89, 90.9 | -104.0, 22.37 | 302.45, 178.35 | -68.36, -16.58 | in-out | in | 8.8028 | Saltbr-out | 4.754 | HRD-in | -77.19, -54.35 | 79.9, -2.77 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9254 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.92, 165.96 | APE9-dihe-na | -62.98, 165.92 | APE8-dihe-in | -61.22, 127.2 | APE8-rot-in | 298.98 | APE67-dihe-in | -59.47, -28.54 | -61.97, -40.32 | APE12-dist-in | 10.3728 | APE11-dist-out | 6.1931 | APE10-dist-out | 8.992 | APE9-dist-in | 3.7784 | Q207D | None | None | XRAY | 1.3 | 0.156 | 0.173 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s75 | 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 | 5S75A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,HUH:510,HUH:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4122 | 13.3109 | BLAminus | -121.86, 161.2 | 77.57, 90.63 | -103.17, 26.39 | 302.13, 178.97 | -70.27, -17.43 | in-out | in | 9.1959 | Saltbr-out | 6.1065 | HRD-in | -77.34, -53.49 | 77.65, 2.76 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9431 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.16, 170.77 | APE9-dihe-na | -65.21, 166.76 | APE8-dihe-in | -64.6, 123.77 | APE8-rot-in | 302.54 | APE67-dihe-in | -59.09, -30.5 | -61.28, -37.14 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2204 | APE10-dist-out | 8.9132 | APE9-dist-in | 3.6893 | Q207D | None | None | XRAY | 1.3 | 0.156 | 0.173 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s75 | 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 | 5S75B | Q04771 | 205 | 499 | 509.0 | LU8:501,HUH:505,HUH:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0427 | 13.384 | BLAminus | -125.56, 161.73 | 76.89, 90.9 | -104.0, 22.37 | 302.45, 178.35 | -68.36, -16.58 | in-out | in | 8.8028 | Saltbr-out | 4.754 | HRD-in | -77.19, -54.35 | 79.9, -2.77 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9254 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -120.92, 165.96 | APE9-dihe-na | -62.98, 165.92 | APE8-dihe-in | -61.22, 127.2 | APE8-rot-in | 298.98 | APE67-dihe-in | -59.47, -28.54 | -61.97, -40.32 | APE12-dist-in | 10.3728 | APE11-dist-out | 6.1931 | APE10-dist-out | 8.992 | APE9-dist-in | 3.7784 | Q207D | None | None | XRAY | 1.3 | 0.156 | 0.173 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s75 | 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 | 5S75A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509,HUH:510,HUH:511 | Type1,Allosteric,Allosteric,Allosteric,Allosteric | Inactive | DFGin | 8.4122 | 13.3109 | BLAminus | -121.86, 161.2 | 77.57, 90.63 | -103.17, 26.39 | 302.13, 178.97 | -70.27, -17.43 | in-out | in | 9.1959 | Saltbr-out | 6.1065 | HRD-in | -77.34, -53.49 | 77.65, 2.76 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9431 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -123.16, 170.77 | APE9-dihe-na | -65.21, 166.76 | APE8-dihe-in | -64.6, 123.77 | APE8-rot-in | 302.54 | APE67-dihe-in | -59.09, -30.5 | -61.28, -37.14 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2204 | APE10-dist-out | 8.9132 | APE9-dist-in | 3.6893 | Q207D | None | None | XRAY | 1.3 | 0.156 | 0.173 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s75 | 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 |
|---|