| 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 | 5J87A | Q06187 | 396 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.3334 | 13.6498 | BLBplus | -123.42, 149.38 | 64.52, 28.82 | -63.82, 130.7 | 36.78, 95.48 | 84.02, -10.49 | out-out | out | 16.4042 | Saltbr-out | 14.4358 | HRD-in | -71.23, -53.8 | 79.96, -6.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.667 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -101.16, -6.26 | APE9-dihe-in | -66.24, 144.47 | APE8-dihe-in | -83.41, 68.08 | APE8-rot-na | 29.78 | APE67-dihe-in | -68.04, -20.26 | -62.31, -40.48 | APE12-dist-na | 17.3078 | APE11-dist-na | 18.9168 | APE10-dist-na | 13.8038 | APE9-dist-out | 8.4943 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | A | 274.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87B | Q06187 | 385 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.3073 | 13.5658 | BLBplus | -116.27, 147.16 | 64.48, 33.44 | -63.72, 133.38 | 37.03, 94.6 | 70.54, 9.28 | out-out | out | 16.6033 | Saltbr-out | 18.4992 | HRD-in | -71.08, -49.77 | 81.97, -10.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4852 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -103.87, 1.28 | APE9-dihe-in | -69.91, 147.55 | APE8-dihe-in | -80.31, 62.9 | APE8-rot-na | 20.94 | APE67-dihe-in | -70.97, -11.78 | -58.07, -42.19 | APE12-dist-na | 17.5467 | APE11-dist-na | 18.8381 | APE10-dist-na | 14.0075 | APE9-dist-out | 8.5454 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | B | 274.0 | 274.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87C | Q06187 | 396 | 656 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.4048 | 13.5465 | BLBplus | -126.4, 157.43 | 65.83, 26.36 | -68.75, 129.53 | 36.85, 83.12 | 64.87, 13.16 | out-out | out | 14.9009 | Saltbr-out | 13.3145 | HRD-in | -69.99, -46.79 | 81.42, -9.8 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7099 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -109.62, 3.15 | APE9-dihe-in | -83.23, 132.48 | APE8-dihe-in | -75.66, 67.36 | APE8-rot-na | 16.98 | APE67-dihe-in | -69.08, -9.78 | -57.68, -42.7 | APE12-dist-na | 17.6117 | APE11-dist-na | 18.9693 | APE10-dist-na | 13.9416 | APE9-dist-out | 8.3626 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | C | 274.0 | 261.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87D | Q06187 | 396 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.0296 | 14.2516 | BLBplus | -123.89, 170.41 | 74.82, 20.6 | -71.67, 132.66 | 44.67, 90.2 | 89.11, -16.56 | out-out | out | 16.2582 | Saltbr-out | 13.8793 | HRD-in | -99.01, -51.17 | 80.74, -9.08 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7879 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -126.19, -24.51 | APE9-dihe-in | -55.82, 128.59 | APE8-dihe-in | -67.92, 50.84 | APE8-rot-na | 21.56 | APE67-dihe-in | -78.89, -3.66 | -45.75, -40.96 | APE12-dist-na | 17.2101 | APE11-dist-na | 18.9448 | APE10-dist-na | 13.5524 | APE9-dist-out | 8.5228 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | D | 274.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 | 5J87A | Q06187 | 396 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.3334 | 13.6498 | BLBplus | -123.42, 149.38 | 64.52, 28.82 | -63.82, 130.7 | 36.78, 95.48 | 84.02, -10.49 | out-out | out | 16.4042 | Saltbr-out | 14.4358 | HRD-in | -71.23, -53.8 | 79.96, -6.34 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.667 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -101.16, -6.26 | APE9-dihe-in | -66.24, 144.47 | APE8-dihe-in | -83.41, 68.08 | APE8-rot-na | 29.78 | APE67-dihe-in | -68.04, -20.26 | -62.31, -40.48 | APE12-dist-na | 17.3078 | APE11-dist-na | 18.9168 | APE10-dist-na | 13.8038 | APE9-dist-out | 8.4943 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | A | 274.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | Homo sapiens | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87B | Q06187 | 385 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.3073 | 13.5658 | BLBplus | -116.27, 147.16 | 64.48, 33.44 | -63.72, 133.38 | 37.03, 94.6 | 70.54, 9.28 | out-out | out | 16.6033 | Saltbr-out | 18.4992 | HRD-in | -71.08, -49.77 | 81.97, -10.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.4852 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -103.87, 1.28 | APE9-dihe-in | -69.91, 147.55 | APE8-dihe-in | -80.31, 62.9 | APE8-rot-na | 20.94 | APE67-dihe-in | -70.97, -11.78 | -58.07, -42.19 | APE12-dist-na | 17.5467 | APE11-dist-na | 18.8381 | APE10-dist-na | 14.0075 | APE9-dist-out | 8.5454 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | B | 274.0 | 274.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | Homo sapiens | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87C | Q06187 | 396 | 656 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.4048 | 13.5465 | BLBplus | -126.4, 157.43 | 65.83, 26.36 | -68.75, 129.53 | 36.85, 83.12 | 64.87, 13.16 | out-out | out | 14.9009 | Saltbr-out | 13.3145 | HRD-in | -69.99, -46.79 | 81.42, -9.8 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7099 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -109.62, 3.15 | APE9-dihe-in | -83.23, 132.48 | APE8-dihe-in | -75.66, 67.36 | APE8-rot-na | 16.98 | APE67-dihe-in | -69.08, -9.78 | -57.68, -42.7 | APE12-dist-na | 17.6117 | APE11-dist-na | 18.9693 | APE10-dist-na | 13.9416 | APE9-dist-out | 8.3626 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | C | 274.0 | 261.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | Homo sapiens | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
| TYR | BTK | BTK_HUMAN | 5J87D | Q06187 | 396 | 658 | 659.0 | N42:701 | Type1 | Inactive | DFGin | 6.0296 | 14.2516 | BLBplus | -123.89, 170.41 | 74.82, 20.6 | -71.67, 132.66 | 44.67, 90.2 | 89.11, -16.56 | out-out | out | 16.2582 | Saltbr-out | 13.8793 | HRD-in | -99.01, -51.17 | 80.74, -9.08 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.7879 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -126.19, -24.51 | APE9-dihe-in | -55.82, 128.59 | APE8-dihe-in | -67.92, 50.84 | APE8-rot-na | 21.56 | APE67-dihe-in | -78.89, -3.66 | -45.75, -40.96 | APE12-dist-na | 17.2101 | APE11-dist-na | 18.9448 | APE10-dist-na | 13.5524 | APE9-dist-out | 8.5228 | None | None | None | XRAY | 1.59 | 0.22 | 0.248 | D | 274.0 | 263.0 | 0 | 29 | 29 | 0 | [[402, 653]] | 1.0 | 5j87 | Homo sapiens | TYR_BTK_HUMAN | TYR | 6.3e-93 | 316.8 | 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 |
|---|