| 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 | 5S7EB | Q04771 | 205 | 499 | 509.0 | LU8:501,XEA:505 | Type1,Allosteric | Inactive | DFGin | 7.0009 | 13.4563 | BLAminus | -126.91, 163.64 | 73.07, 91.25 | -103.42, 21.63 | 301.95, 174.37 | -67.85, -18.9 | in-out | in | 8.8128 | Saltbr-out | 4.7223 | HRD-in | -77.73, -53.3 | 79.65, -3.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.929 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -117.66, 166.82 | APE9-dihe-na | -61.55, 164.95 | APE8-dihe-in | -59.98, 129.55 | APE8-rot-in | 299.19 | APE67-dihe-in | -58.01, -29.13 | -63.05, -41.4 | APE12-dist-in | 10.2582 | APE11-dist-out | 6.2149 | APE10-dist-out | 9.0083 | APE9-dist-in | 3.801 | Q207D | None | None | XRAY | 1.32 | 0.168 | 0.189 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7e | 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 | 5S7EA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3788 | 13.303 | BLAminus | -121.44, 162.36 | 74.46, 91.44 | -103.29, 27.05 | 299.26, 176.52 | -69.12, -17.65 | in-out | in | 9.1784 | Saltbr-out | 6.1061 | HRD-in | -79.8, -52.73 | 76.32, 0.43 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8856 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -122.76, 172.59 | APE9-dihe-na | -57.54, 160.03 | APE8-dihe-in | -61.32, 126.08 | APE8-rot-in | 304.6 | APE67-dihe-in | -53.51, -32.05 | -63.31, -40.67 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3076 | APE10-dist-out | 8.8411 | APE9-dist-in | 3.7139 | Q207D | None | None | XRAY | 1.32 | 0.168 | 0.189 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7e | 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 | 5S7EB | Q04771 | 205 | 499 | 509.0 | LU8:501,XEA:505 | Type1,Allosteric | Inactive | DFGin | 7.0009 | 13.4563 | BLAminus | -126.91, 163.64 | 73.07, 91.25 | -103.42, 21.63 | 301.95, 174.37 | -67.85, -18.9 | in-out | in | 8.8128 | Saltbr-out | 4.7223 | HRD-in | -77.73, -53.3 | 79.65, -3.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.929 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -117.66, 166.82 | APE9-dihe-na | -61.55, 164.95 | APE8-dihe-in | -59.98, 129.55 | APE8-rot-in | 299.19 | APE67-dihe-in | -58.01, -29.13 | -63.05, -41.4 | APE12-dist-in | 10.2582 | APE11-dist-out | 6.2149 | APE10-dist-out | 9.0083 | APE9-dist-in | 3.801 | Q207D | None | None | XRAY | 1.32 | 0.168 | 0.189 | B | 301.0 | 293.0 | 2 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s7e | 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 | 5S7EA | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3788 | 13.303 | BLAminus | -121.44, 162.36 | 74.46, 91.44 | -103.29, 27.05 | 299.26, 176.52 | -69.12, -17.65 | in-out | in | 9.1784 | Saltbr-out | 6.1061 | HRD-in | -79.8, -52.73 | 76.32, 0.43 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8856 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -122.76, 172.59 | APE9-dihe-na | -57.54, 160.03 | APE8-dihe-in | -61.32, 126.08 | APE8-rot-in | 304.6 | APE67-dihe-in | -53.51, -32.05 | -63.31, -40.67 | APE12-dist-none | 999.0 | APE11-dist-out | 6.3076 | APE10-dist-out | 8.8411 | APE9-dist-in | 3.7139 | Q207D | None | None | XRAY | 1.32 | 0.168 | 0.189 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s7e | 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 |
|---|