| 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 | 5S7UA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3051 | 13.2129 | BLAminus | -114.05, 162.83 | 73.86, 86.44 | -96.11, 24.11 | 301.91, 5.0 | -63.32, -18.47 | in-out | in | 9.2232 | Saltbr-out | 5.6693 | HRD-in | -78.6, -56.95 | 81.06, 1.88 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8879 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -102.37, -33.42 | APE9-dihe-na | -82.13, -169.33 | APE8-dihe-in | -70.61, 128.02 | APE8-rot-in | 308.81 | APE67-dihe-in | -53.65, -30.76 | -61.02, -43.28 | APE12-dist-none | 999.0 | APE11-dist-in | 10.9037 | APE10-dist-in | 6.4566 | APE9-dist-in | 3.6543 | Q207D | None | None | XRAY | 1.59 | 0.219 | 0.261 | A | 301.0 | 280.0 | 18 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7u | 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 | 5S7UB | Q04771 | 205 | 499 | 509.0 | LU8:501,XGY:505,XGY:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 6.6967 | 13.3542 | BLAminus | -130.21, 164.61 | 74.6, 82.7 | -94.38, 13.73 | 305.4, 176.35 | -55.24, -22.33 | in-out | in | 8.956 | Saltbr-out | 4.6866 | HRD-in | -75.48, -53.06 | 77.34, -3.38 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8147 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -164.99, 129.38 | APE9-dihe-na | -126.69, -126.94 | APE8-dihe-in | -91.63, 124.43 | APE8-rot-in | 299.73 | APE67-dihe-in | -58.25, -31.07 | -56.39, -48.22 | APE12-dist-in | 10.8295 | APE11-dist-in | 11.4695 | APE10-dist-out | 9.5141 | APE9-dist-in | 4.0299 | Q207D | None | None | XRAY | 1.59 | 0.219 | 0.261 | B | 301.0 | 279.0 | 16 | 32 | 23 | 9 | [[207, 497]] | 1.0 | 5s7u | 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 | 5S7UA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:507,LU8:508 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3051 | 13.2129 | BLAminus | -114.05, 162.83 | 73.86, 86.44 | -96.11, 24.11 | 301.91, 5.0 | -63.32, -18.47 | in-out | in | 9.2232 | Saltbr-out | 5.6693 | HRD-in | -78.6, -56.95 | 81.06, 1.88 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8879 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -102.37, -33.42 | APE9-dihe-na | -82.13, -169.33 | APE8-dihe-in | -70.61, 128.02 | APE8-rot-in | 308.81 | APE67-dihe-in | -53.65, -30.76 | -61.02, -43.28 | APE12-dist-none | 999.0 | APE11-dist-in | 10.9037 | APE10-dist-in | 6.4566 | APE9-dist-in | 3.6543 | Q207D | None | None | XRAY | 1.59 | 0.219 | 0.261 | A | 301.0 | 280.0 | 18 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7u | 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 | 5S7UB | Q04771 | 205 | 499 | 509.0 | LU8:501,XGY:505,XGY:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 6.6967 | 13.3542 | BLAminus | -130.21, 164.61 | 74.6, 82.7 | -94.38, 13.73 | 305.4, 176.35 | -55.24, -22.33 | in-out | in | 8.956 | Saltbr-out | 4.6866 | HRD-in | -75.48, -53.06 | 77.34, -3.38 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8147 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -164.99, 129.38 | APE9-dihe-na | -126.69, -126.94 | APE8-dihe-in | -91.63, 124.43 | APE8-rot-in | 299.73 | APE67-dihe-in | -58.25, -31.07 | -56.39, -48.22 | APE12-dist-in | 10.8295 | APE11-dist-in | 11.4695 | APE10-dist-out | 9.5141 | APE9-dist-in | 4.0299 | Q207D | None | None | XRAY | 1.59 | 0.219 | 0.261 | B | 301.0 | 279.0 | 16 | 32 | 23 | 9 | [[207, 497]] | 1.0 | 5s7u | 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 |
|---|