| 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 | JAK3-2 | JAK3_HUMAN | 4Z16A | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.693 | 14.5354 | BLAminus | -125.11, -170.67 | 46.31, 83.09 | -100.98, 26.25 | 290.17, 83.28 | -67.99, -29.42 | in-in | in | 8.3468 | Saltbr-in | 2.8339 | HRD-in | -67.29, -45.59 | 73.41, -19.17 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8291 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 77.57 | APE8-rot-na | 328.09 | APE67-dihe-in | -74.64, -13.67 | -80.93, -12.04 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | A | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16B | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | Inactive | DFGin | 6.6659 | 14.5322 | BLAminus | -124.7, -170.19 | 45.77, 83.37 | -100.74, 26.17 | 289.95, 82.89 | -68.35, -28.49 | in-in | in | 8.3877 | Saltbr-in | 2.8503 | HRD-in | -66.49, -45.94 | 73.56, -20.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8618 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -56.65, -6.62 | APE9-dihe-in | -78.46, 132.64 | APE8-dihe-in | -45.17, 131.02 | APE8-rot-na | 5.36 | APE67-dihe-in | -79.95, -14.25 | -79.37, 1.19 | APE12-dist-na | 12.5366 | APE11-dist-na | 9.232 | APE10-dist-na | 10.615 | APE9-dist-in | 7.017 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | B | 316.0 | 278.0 | 12 | 31 | 31 | 0 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16C | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.724 | 14.5409 | BLAminus | -124.89, -171.04 | 46.95, 83.36 | -101.0, 25.74 | 290.21, 83.17 | -68.15, -28.94 | in-in | in | 8.3723 | Saltbr-in | 2.8403 | HRD-in | -67.03, -45.78 | 73.53, -19.66 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7882 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 38.92 | APE8-rot-na | 335.43 | APE67-dihe-in | -76.63, -13.6 | -68.45, -18.81 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | C | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16D | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.6883 | 14.5667 | BLAminus | -124.04, -170.5 | 45.94, 82.68 | -99.35, 24.89 | 290.17, 82.54 | -66.47, -27.42 | in-in | in | 8.3931 | Saltbr-in | 2.8748 | HRD-in | -67.23, -45.45 | 73.09, -20.62 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7942 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 52.48 | APE8-rot-na | 345.61 | APE67-dihe-in | -77.91, -13.97 | -72.79, -6.5 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | D | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| 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 | JAK3-2 | JAK3_HUMAN | 4Z16A | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.693 | 14.5354 | BLAminus | -125.11, -170.67 | 46.31, 83.09 | -100.98, 26.25 | 290.17, 83.28 | -67.99, -29.42 | in-in | in | 8.3468 | Saltbr-in | 2.8339 | HRD-in | -67.29, -45.59 | 73.41, -19.17 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.8291 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 77.57 | APE8-rot-na | 328.09 | APE67-dihe-in | -74.64, -13.67 | -80.93, -12.04 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | A | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16B | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | Inactive | DFGin | 6.6659 | 14.5322 | BLAminus | -124.7, -170.19 | 45.77, 83.37 | -100.74, 26.17 | 289.95, 82.89 | -68.35, -28.49 | in-in | in | 8.3877 | Saltbr-in | 2.8503 | HRD-in | -66.49, -45.94 | 73.56, -20.74 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8618 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -56.65, -6.62 | APE9-dihe-in | -78.46, 132.64 | APE8-dihe-in | -45.17, 131.02 | APE8-rot-na | 5.36 | APE67-dihe-in | -79.95, -14.25 | -79.37, 1.19 | APE12-dist-na | 12.5366 | APE11-dist-na | 9.232 | APE10-dist-na | 10.615 | APE9-dist-in | 7.017 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | B | 316.0 | 278.0 | 12 | 31 | 31 | 0 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16C | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.724 | 14.5409 | BLAminus | -124.89, -171.04 | 46.95, 83.36 | -101.0, 25.74 | 290.21, 83.17 | -68.15, -28.94 | in-in | in | 8.3723 | Saltbr-in | 2.8403 | HRD-in | -67.03, -45.78 | 73.53, -19.66 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7882 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 38.92 | APE8-rot-na | 335.43 | APE67-dihe-in | -76.63, -13.6 | -68.45, -18.81 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | C | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| TYR | JAK3-2 | JAK3_HUMAN | 4Z16D | P52333 | 814 | 1103 | 1124.0 | 4LH:2000 | Type1 | None | DFGin | 6.6883 | 14.5667 | BLAminus | -124.04, -170.5 | 45.94, 82.68 | -99.35, 24.89 | 290.17, 82.54 | -66.47, -27.42 | in-in | in | 8.3931 | Saltbr-in | 2.8748 | HRD-in | -67.23, -45.45 | 73.09, -20.62 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7942 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 52.48 | APE8-rot-na | 345.61 | APE67-dihe-in | -77.91, -13.97 | -72.79, -6.5 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.9 | 0.204 | 0.24 | D | 316.0 | 273.0 | 17 | 31 | 26 | 5 | [[521, 779], [822, 1097]] | 2.0 | 4z16 | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 7.5e-81 | 277.2 | 1.0 | 260.0 | 260.0 | 966 | 967 | 968 | 970 | 972 | 855 | 871 | 875 | 946 | 948 | 947 | 949.0 | 1009 | 997 | 992 | 991 | 990 | 989 | 988 | 987 | 986 | 903 | Tyrosine-protein kinase JAK3 |
| 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 |
|---|