| 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 | 2G2IA | P00519 | 229 | 502 | 1130.0 | ADP:820 | ATPlike | Inactive | DFGin | 6.6309 | 13.4329 | BLAminus | -148.4, 173.75 | 80.3, 76.24 | -98.47, 37.85 | 308.34, 118.79 | -64.97, -55.29 | in-in | in | 8.0051 | Saltbr-in | 3.2474 | HRD-out | -103.94, 83.88 | -55.25, 17.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0637 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -140.34, 116.79 | APE9-dihe-in | -127.46, 160.87 | APE8-dihe-in | -56.61, 91.87 | APE8-rot-na | 28.18 | APE67-dihe-in | -56.4, -10.87 | -40.77, -65.33 | APE12-dist-na | 14.9044 | APE11-dist-na | 10.5735 | APE10-dist-na | 12.836 | APE9-dist-in | 7.3096 | H396P | None | None | XRAY | 3.12 | 0.251 | 0.308 | A | 287.0 | 271.0 | 3 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2i | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2IB | P00519 | 232 | 500 | 1130.0 | ADP:821 | ATPlike | Inactive | DFGin | 6.6234 | 13.7447 | BLAminus | -144.73, -170.13 | 58.63, 49.5 | -73.16, 23.66 | 306.98, 113.05 | -58.19, -50.38 | in-in | in | 7.7947 | Saltbr-in | 2.8716 | HRD-out | -111.21, 97.67 | -66.16, -14.66 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.4038 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -99.86, 132.09 | APE9-dihe-in | -111.79, 159.65 | APE8-dihe-in | -83.23, 82.29 | APE8-rot-na | 32.48 | APE67-dihe-in | -53.07, -28.27 | -29.82, -59.17 | APE12-dist-na | 14.9753 | APE11-dist-na | 10.3404 | APE10-dist-na | 12.8288 | APE9-dist-in | 7.6248 | H396P | None | None | XRAY | 3.12 | 0.251 | 0.308 | B | 287.0 | 265.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2i | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2IA | P00519 | 229 | 502 | 1130.0 | ADP:820 | ATPlike | Inactive | DFGin | 6.6309 | 13.4329 | BLAminus | -148.4, 173.75 | 80.3, 76.24 | -98.47, 37.85 | 308.34, 118.79 | -64.97, -55.29 | in-in | in | 8.0051 | Saltbr-in | 3.2474 | HRD-out | -103.94, 83.88 | -55.25, 17.72 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0637 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -140.34, 116.79 | APE9-dihe-in | -127.46, 160.87 | APE8-dihe-in | -56.61, 91.87 | APE8-rot-na | 28.18 | APE67-dihe-in | -56.4, -10.87 | -40.77, -65.33 | APE12-dist-na | 14.9044 | APE11-dist-na | 10.5735 | APE10-dist-na | 12.836 | APE9-dist-in | 7.3096 | H396P | None | None | XRAY | 3.12 | 0.251 | 0.308 | A | 287.0 | 271.0 | 3 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2i | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2IB | P00519 | 232 | 500 | 1130.0 | ADP:821 | ATPlike | Inactive | DFGin | 6.6234 | 13.7447 | BLAminus | -144.73, -170.13 | 58.63, 49.5 | -73.16, 23.66 | 306.98, 113.05 | -58.19, -50.38 | in-in | in | 7.7947 | Saltbr-in | 2.8716 | HRD-out | -111.21, 97.67 | -66.16, -14.66 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.4038 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -99.86, 132.09 | APE9-dihe-in | -111.79, 159.65 | APE8-dihe-in | -83.23, 82.29 | APE8-rot-na | 32.48 | APE67-dihe-in | -53.07, -28.27 | -29.82, -59.17 | APE12-dist-na | 14.9753 | APE11-dist-na | 10.3404 | APE10-dist-na | 12.8288 | APE9-dist-in | 7.6248 | H396P | None | None | XRAY | 3.12 | 0.251 | 0.308 | B | 287.0 | 265.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2i | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 |
|---|