| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | BTK | BTK_HUMAN | 6EP9A | Q06187 | 396 | 658 | 659.0 | BNB:701 | Type1 | Inactive | DFGin | 6.1666 | 13.9342 | BLBplus | -110.74, 150.79 | 56.23, 33.93 | -61.07, 129.12 | 39.2, 95.59 | 79.19, -9.19 | out-out | out | 14.7293 | Saltbr-out | 14.9123 | HRD-in | -77.75, -56.4 | 82.19, -12.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7856 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -106.21, 1.04 | APE9-dihe-in | -68.91, 137.58 | APE8-dihe-in | -72.36, 63.98 | APE8-rot-na | 26.41 | APE67-dihe-in | -73.5, -8.99 | -57.91, -45.11 | APE12-dist-na | 17.7344 | APE11-dist-na | 19.2826 | APE10-dist-na | 14.1655 | APE9-dist-out | 8.3975 | M489A,R492A,E624A,K625A | None | None | XRAY | 2.01 | 0.201 | 0.239 | A | 283.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6ep9 | TYR_BTK_HUMAN | TYR | 1.2e-92 | 315.8 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | BTK | BTK_HUMAN | 6EP9A | Q06187 | 396 | 658 | 659.0 | BNB:701 | Type1 | Inactive | DFGin | 6.1666 | 13.9342 | BLBplus | -110.74, 150.79 | 56.23, 33.93 | -61.07, 129.12 | 39.2, 95.59 | 79.19, -9.19 | out-out | out | 14.7293 | Saltbr-out | 14.9123 | HRD-in | -77.75, -56.4 | 82.19, -12.26 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7856 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -106.21, 1.04 | APE9-dihe-in | -68.91, 137.58 | APE8-dihe-in | -72.36, 63.98 | APE8-rot-na | 26.41 | APE67-dihe-in | -73.5, -8.99 | -57.91, -45.11 | APE12-dist-na | 17.7344 | APE11-dist-na | 19.2826 | APE10-dist-na | 14.1655 | APE9-dist-out | 8.3975 | M489A,R492A,E624A,K625A | None | None | XRAY | 2.01 | 0.201 | 0.239 | A | 283.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 6ep9 | Homo sapiens | TYR_BTK_HUMAN | TYR | 1.2e-92 | 315.8 | 1.0 | 258.0 | 258.0 | 538 | 539 | 540 | 542 | 544 | 430 | 445 | 449 | 518 | 520 | 519 | 521.0 | 579 | 567 | 562 | 561 | 560 | 559 | 558 | 557 | 556 | 475 | Tyrosine-protein kinase BTK |
| 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 |
|---|