| 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 | 3PJ1A | Q06187 | 391 | 659 | 659.0 | LHL:1,LHL:2 | Type1,Allosteric | Inactive | DFGin | 4.6315 | 13.9108 | BLAplus | -125.24, -177.97 | 47.53, 37.44 | -91.22, -16.21 | 57.77, 94.29 | -84.9, -7.73 | in-in | in | 8.2391 | Saltbr-in | 3.0498 | HRD-in | -71.17, -51.36 | 76.56, -15.56 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 131.95 | APE8-dihe-in | -68.38, 60.28 | APE8-rot-na | 27.48 | APE67-dihe-in | -69.28, -12.51 | -52.55, -45.17 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.1998 | None | None | None | XRAY | 2.0 | 0.223 | 0.257 | A | 274.0 | 241.0 | 28 | 29 | 13 | 16 | [[402, 653]] | 1.0 | 3pj1 | 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 | LCK | LCK_HUMAN | 3KMMA | P06239 | 231 | 501 | 509.0 | LHL:1 | Type1.5_Back | Active | DFGin | 6.8628 | 14.8299 | BLAminus | -127.6, -179.98 | 60.86, 89.79 | -112.67, 27.22 | 299.87, 93.25 | -61.87, -31.32 | in-in | in | 8.6985 | Saltbr-in | 3.0559 | HRD-in | -91.14, -53.45 | 82.64, -3.08 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8642 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -119.65, 152.15 | APE9-dihe-in | -136.18, 157.7 | APE8-dihe-in | -58.05, 115.06 | APE8-rot-na | 339.75 | APE67-dihe-in | -80.51, -24.68 | -64.53, -28.52 | APE12-dist-na | 14.1508 | APE11-dist-na | 9.7097 | APE10-dist-na | 12.3903 | APE9-dist-in | 6.6287 | Y505F | PTR394 | PTR394 | XRAY | 2.8 | 0.167 | 0.223 | A | 288.0 | 271.0 | 0 | 29 | 29 | 0 | [[245, 496]] | 1.0 | 3kmm | TYR_LCK_HUMAN | TYR | 1.6e-94 | 322.0 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| 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 | 3PJ1A | Q06187 | 391 | 659 | 659.0 | LHL:1,LHL:2 | Type1,Allosteric | Inactive | DFGin | 4.6315 | 13.9108 | BLAplus | -125.24, -177.97 | 47.53, 37.44 | -91.22, -16.21 | 57.77, 94.29 | -84.9, -7.73 | in-in | in | 8.2391 | Saltbr-in | 3.0498 | HRD-in | -71.17, -51.36 | 76.56, -15.56 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nniai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 131.95 | APE8-dihe-in | -68.38, 60.28 | APE8-rot-na | 27.48 | APE67-dihe-in | -69.28, -12.51 | -52.55, -45.17 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.1998 | None | None | None | XRAY | 2.0 | 0.223 | 0.257 | A | 274.0 | 241.0 | 28 | 29 | 13 | 16 | [[402, 653]] | 1.0 | 3pj1 | 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 | LCK | LCK_HUMAN | 3KMMA | P06239 | 231 | 501 | 509.0 | LHL:1 | Type1.5_Back | Active | DFGin | 6.8628 | 14.8299 | BLAminus | -127.6, -179.98 | 60.86, 89.79 | -112.67, 27.22 | 299.87, 93.25 | -61.87, -31.32 | in-in | in | 8.6985 | Saltbr-in | 3.0559 | HRD-in | -91.14, -53.45 | 82.64, -3.08 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8642 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -119.65, 152.15 | APE9-dihe-in | -136.18, 157.7 | APE8-dihe-in | -58.05, 115.06 | APE8-rot-na | 339.75 | APE67-dihe-in | -80.51, -24.68 | -64.53, -28.52 | APE12-dist-na | 14.1508 | APE11-dist-na | 9.7097 | APE10-dist-na | 12.3903 | APE9-dist-in | 6.6287 | Y505F | PTR394 | PTR394 | XRAY | 2.8 | 0.167 | 0.223 | A | 288.0 | 271.0 | 0 | 29 | 29 | 0 | [[245, 496]] | 1.0 | 3kmm | Homo sapiens | TYR_LCK_HUMAN | TYR | 1.6e-94 | 322.0 | 1.0 | 260.0 | 260.0 | 381 | 382 | 383 | 385 | 387 | 273 | 288 | 292 | 361 | 363 | 362 | 364.0 | 422 | 410 | 405 | 404 | 403 | 402 | 401 | 400 | 399 | 317 | Tyrosine-protein kinase Lck |
| 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 |
|---|