| 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 | ABL1 | ABL1_HUMAN | 3QRIA | P00519 | 229 | 498 | 1130.0 | 919:60500 | Type2 | Inactive | DFGout | 13.4048 | 9.244 | BBAminus | -140.23, -177.67 | -143.73, 111.06 | -85.62, -1.21 | 285.71, 95.83 | 64.84, 45.13 | in-in | in | 7.938 | Saltbr-in | 2.6713 | HRD-in | -68.59, -54.98 | 84.86, -16.08 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3297 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -92.68, 128.64 | APE9-dihe-in | -141.86, 154.54 | APE8-dihe-in | -79.64, 85.81 | APE8-rot-na | 26.51 | APE67-dihe-in | -72.47, -7.02 | -44.71, -48.72 | APE12-dist-na | 18.4987 | APE11-dist-na | 15.5857 | APE10-dist-na | 10.7258 | APE9-dist-in | 7.4255 | None | None | None | XRAY | 2.1 | 0.216 | 0.272 | A | 277.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qri | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | 3QRIB | P00519 | 232 | 498 | 1130.0 | 919:60002 | Type2 | Inactive | DFGout | 13.3944 | 9.3548 | BBAminus | -137.99, -177.06 | -143.59, 113.56 | -88.43, -2.03 | 287.13, 98.7 | 64.72, 47.42 | in-in | in | 7.8509 | Saltbr-in | 2.8565 | HRD-in | -75.25, -51.53 | 85.01, -17.97 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3271 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -89.54, 128.19 | APE9-dihe-in | -140.43, 156.29 | APE8-dihe-in | -80.95, 78.25 | APE8-rot-na | 29.21 | APE67-dihe-in | -73.74, -7.02 | -42.67, -45.53 | APE12-dist-na | 18.487 | APE11-dist-na | 15.5621 | APE10-dist-na | 10.7895 | APE9-dist-in | 7.4803 | None | None | None | XRAY | 2.1 | 0.216 | 0.272 | B | 277.0 | 262.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qri | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 | ABL1 | ABL1_HUMAN | 3QRIA | P00519 | 229 | 498 | 1130.0 | 919:60500 | Type2 | Inactive | DFGout | 13.4048 | 9.244 | BBAminus | -140.23, -177.67 | -143.73, 111.06 | -85.62, -1.21 | 285.71, 95.83 | 64.84, 45.13 | in-in | in | 7.938 | Saltbr-in | 2.6713 | HRD-in | -68.59, -54.98 | 84.86, -16.08 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3297 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -92.68, 128.64 | APE9-dihe-in | -141.86, 154.54 | APE8-dihe-in | -79.64, 85.81 | APE8-rot-na | 26.51 | APE67-dihe-in | -72.47, -7.02 | -44.71, -48.72 | APE12-dist-na | 18.4987 | APE11-dist-na | 15.5857 | APE10-dist-na | 10.7258 | APE9-dist-in | 7.4255 | None | None | None | XRAY | 2.1 | 0.216 | 0.272 | A | 277.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qri | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | 3QRIB | P00519 | 232 | 498 | 1130.0 | 919:60002 | Type2 | Inactive | DFGout | 13.3944 | 9.3548 | BBAminus | -137.99, -177.06 | -143.59, 113.56 | -88.43, -2.03 | 287.13, 98.7 | 64.72, 47.42 | in-in | in | 7.8509 | Saltbr-in | 2.8565 | HRD-in | -75.25, -51.53 | 85.01, -17.97 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3271 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -89.54, 128.19 | APE9-dihe-in | -140.43, 156.29 | APE8-dihe-in | -80.95, 78.25 | APE8-rot-na | 29.21 | APE67-dihe-in | -73.74, -7.02 | -42.67, -45.53 | APE12-dist-na | 18.487 | APE11-dist-na | 15.5621 | APE10-dist-na | 10.7895 | APE9-dist-in | 7.4803 | None | None | None | XRAY | 2.1 | 0.216 | 0.272 | B | 277.0 | 262.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qri | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 |
|---|