| 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 | 8I7SA | P00519 | 232 | 500 | 1130.0 | 6CI:601 | Type1 | Inactive | DFGinter | 9.1336 | 7.6312 | None | -67.26, 134.08 | -124.25, 38.37 | -90.11, -15.51 | 320.43, 108.35 | -104.88, 9.69 | in-in | in | 8.7109 | Saltbr-in | 2.997 | HRD-in | -101.62, -50.5 | 73.92, -2.89 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.6426 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.21, 132.08 | APE9-dihe-in | -105.71, 156.86 | APE8-dihe-in | -74.32, 88.38 | APE8-rot-na | 26.42 | APE67-dihe-in | -74.59, -6.02 | -50.76, -44.43 | APE12-dist-na | 19.8149 | APE11-dist-na | 15.1302 | APE10-dist-na | 17.8588 | APE9-dist-in | 7.5108 | None | PTR393 | PTR393 | XRAY | 1.946 | 0.186 | 0.216 | A | 272.0 | 262.0 | 7 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7s | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7SB | P00519 | 232 | 500 | 1130.0 | 6CI:601 | Type1 | Inactive | DFGinter | 8.7301 | 7.6723 | None | -65.46, 135.7 | -123.29, 38.43 | -94.21, -15.86 | 318.08, 102.31 | -104.7, 7.72 | in-out | in | 8.7389 | Saltbr-out | 4.579 | HRD-in | -100.98, -46.35 | 75.57, -9.9 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.3934 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -103.26, 135.01 | APE9-dihe-in | -100.5, 152.85 | APE8-dihe-in | -79.3, 86.45 | APE8-rot-na | 26.11 | APE67-dihe-in | -72.94, -9.36 | -50.77, -43.49 | APE12-dist-na | 18.4898 | APE11-dist-na | 13.8798 | APE10-dist-na | 16.5698 | APE9-dist-in | 7.1976 | None | PTR393 | PTR393 | XRAY | 1.946 | 0.186 | 0.216 | B | 272.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7s | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7SA | P00519 | 232 | 500 | 1130.0 | 6CI:601 | Type1 | Inactive | DFGinter | 9.1336 | 7.6312 | None | -67.26, 134.08 | -124.25, 38.37 | -90.11, -15.51 | 320.43, 108.35 | -104.88, 9.69 | in-in | in | 8.7109 | Saltbr-in | 2.997 | HRD-in | -101.62, -50.5 | 73.92, -2.89 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.6426 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.21, 132.08 | APE9-dihe-in | -105.71, 156.86 | APE8-dihe-in | -74.32, 88.38 | APE8-rot-na | 26.42 | APE67-dihe-in | -74.59, -6.02 | -50.76, -44.43 | APE12-dist-na | 19.8149 | APE11-dist-na | 15.1302 | APE10-dist-na | 17.8588 | APE9-dist-in | 7.5108 | None | PTR393 | PTR393 | XRAY | 1.946 | 0.186 | 0.216 | A | 272.0 | 262.0 | 7 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7s | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7SB | P00519 | 232 | 500 | 1130.0 | 6CI:601 | Type1 | Inactive | DFGinter | 8.7301 | 7.6723 | None | -65.46, 135.7 | -123.29, 38.43 | -94.21, -15.86 | 318.08, 102.31 | -104.7, 7.72 | in-out | in | 8.7389 | Saltbr-out | 4.579 | HRD-in | -100.98, -46.35 | 75.57, -9.9 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.3934 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -103.26, 135.01 | APE9-dihe-in | -100.5, 152.85 | APE8-dihe-in | -79.3, 86.45 | APE8-rot-na | 26.11 | APE67-dihe-in | -72.94, -9.36 | -50.77, -43.49 | APE12-dist-na | 18.4898 | APE11-dist-na | 13.8798 | APE10-dist-na | 16.5698 | APE9-dist-in | 7.1976 | None | PTR393 | PTR393 | XRAY | 1.946 | 0.186 | 0.216 | B | 272.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7s | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 |
|---|