| 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 | 3ZEPA | P52333 | 814 | 1098 | 1124.0 | 1NX:2099 | Type1 | Inactive | DFGin | 6.4201 | 14.3445 | BLAminus | -139.2, 179.6 | 58.57, 83.63 | -103.43, 28.82 | 290.46, 79.48 | -67.26, -39.4 | in-in | in | 8.1983 | Saltbr-in | 2.7236 | HRD-in | -72.97, -44.84 | 72.81, -0.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7642 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -90.83, 0.53 | APE9-dihe-in | -141.71, 168.37 | APE8-dihe-in | -61.5, 133.7 | APE8-rot-na | 333.46 | APE67-dihe-in | -72.33, -1.68 | -64.6, -21.71 | APE12-dist-na | 13.4306 | APE11-dist-na | 10.6555 | APE10-dist-na | 6.8245 | APE9-dist-in | 6.4001 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | A | 288.0 | 276.0 | 9 | 31 | 31 | 0 | [[521, 779], [822, 1097]] | 2.0 | 3zep | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPB | P52333 | 814 | 1100 | 1124.0 | 1NX:2101 | Type1 | None | DFGin | 6.3528 | 14.2219 | BLAminus | -142.2, 177.46 | 62.39, 84.45 | -101.38, 32.38 | 292.96, 77.07 | -73.1, -37.75 | in-in | in | 8.2407 | Saltbr-in | 2.735 | HRD-in | -71.3, -45.86 | 73.98, -5.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7688 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 174.81 | APE8-dihe-in | -59.17, 141.04 | APE8-rot-na | 332.8 | APE67-dihe-in | -80.76, -5.98 | -67.68, -15.15 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.4769 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | B | 288.0 | 270.0 | 17 | 31 | 27 | 4 | [[521, 779], [822, 1097]] | 2.0 | 3zep | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPC | P52333 | 814 | 1100 | 1124.0 | 1NX:2101 | Type1 | None | DFGin | 6.2667 | 14.2845 | BLAminus | -143.3, 179.56 | 63.59, 86.35 | -106.32, 31.56 | 290.45, 75.82 | -68.82, -32.0 | in-in | in | 8.1744 | Saltbr-in | 2.7545 | HRD-in | -76.43, -48.0 | 76.34, -21.16 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7144 | ActLoopCT-none | TYR | APEdihe_niiai | APEdist_aaai | APE10-dihe-none | 999.0, 45.01 | APE9-dihe-in | -93.38, 161.79 | APE8-dihe-in | -56.5, 116.98 | APE8-rot-na | 326.42 | APE67-dihe-in | -74.98, -4.7 | -72.25, -13.12 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 10.7287 | APE9-dist-in | 6.8497 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | C | 288.0 | 278.0 | 9 | 31 | 29 | 2 | [[521, 779], [822, 1097]] | 2.0 | 3zep | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPD | P52333 | 814 | 1099 | 1124.0 | 1NX:2100 | Type1 | None | DFGin | 6.5755 | 14.572 | BLAminus | -134.12, 176.57 | 59.25, 80.73 | -100.38, 28.57 | 291.24, 76.13 | -63.83, -42.01 | in-in | in | 8.3615 | Saltbr-in | 2.6719 | HRD-in | -72.39, -47.07 | 79.2, -13.88 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7779 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 161.47 | APE8-dihe-in | -52.69, 138.76 | APE8-rot-na | 329.47 | APE67-dihe-in | -77.9, -7.22 | -77.25, -13.54 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.5559 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | D | 288.0 | 274.0 | 12 | 31 | 28 | 3 | [[521, 779], [822, 1097]] | 2.0 | 3zep | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPA | P52333 | 814 | 1098 | 1124.0 | 1NX:2099 | Type1 | Inactive | DFGin | 6.4201 | 14.3445 | BLAminus | -139.2, 179.6 | 58.57, 83.63 | -103.43, 28.82 | 290.46, 79.48 | -67.26, -39.4 | in-in | in | 8.1983 | Saltbr-in | 2.7236 | HRD-in | -72.97, -44.84 | 72.81, -0.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7642 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -90.83, 0.53 | APE9-dihe-in | -141.71, 168.37 | APE8-dihe-in | -61.5, 133.7 | APE8-rot-na | 333.46 | APE67-dihe-in | -72.33, -1.68 | -64.6, -21.71 | APE12-dist-na | 13.4306 | APE11-dist-na | 10.6555 | APE10-dist-na | 6.8245 | APE9-dist-in | 6.4001 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | A | 288.0 | 276.0 | 9 | 31 | 31 | 0 | [[521, 779], [822, 1097]] | 2.0 | 3zep | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPB | P52333 | 814 | 1100 | 1124.0 | 1NX:2101 | Type1 | None | DFGin | 6.3528 | 14.2219 | BLAminus | -142.2, 177.46 | 62.39, 84.45 | -101.38, 32.38 | 292.96, 77.07 | -73.1, -37.75 | in-in | in | 8.2407 | Saltbr-in | 2.735 | HRD-in | -71.3, -45.86 | 73.98, -5.89 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7688 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 174.81 | APE8-dihe-in | -59.17, 141.04 | APE8-rot-na | 332.8 | APE67-dihe-in | -80.76, -5.98 | -67.68, -15.15 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.4769 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | B | 288.0 | 270.0 | 17 | 31 | 27 | 4 | [[521, 779], [822, 1097]] | 2.0 | 3zep | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPC | P52333 | 814 | 1100 | 1124.0 | 1NX:2101 | Type1 | None | DFGin | 6.2667 | 14.2845 | BLAminus | -143.3, 179.56 | 63.59, 86.35 | -106.32, 31.56 | 290.45, 75.82 | -68.82, -32.0 | in-in | in | 8.1744 | Saltbr-in | 2.7545 | HRD-in | -76.43, -48.0 | 76.34, -21.16 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7144 | ActLoopCT-none | TYR | APEdihe_niiai | APEdist_aaai | APE10-dihe-none | 999.0, 45.01 | APE9-dihe-in | -93.38, 161.79 | APE8-dihe-in | -56.5, 116.98 | APE8-rot-na | 326.42 | APE67-dihe-in | -74.98, -4.7 | -72.25, -13.12 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 10.7287 | APE9-dist-in | 6.8497 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | C | 288.0 | 278.0 | 9 | 31 | 29 | 2 | [[521, 779], [822, 1097]] | 2.0 | 3zep | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 | 3ZEPD | P52333 | 814 | 1099 | 1124.0 | 1NX:2100 | Type1 | None | DFGin | 6.5755 | 14.572 | BLAminus | -134.12, 176.57 | 59.25, 80.73 | -100.38, 28.57 | 291.24, 76.13 | -63.83, -42.01 | in-in | in | 8.3615 | Saltbr-in | 2.6719 | HRD-in | -72.39, -47.07 | 79.2, -13.88 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7779 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 161.47 | APE8-dihe-in | -52.69, 138.76 | APE8-rot-na | 329.47 | APE67-dihe-in | -77.9, -7.22 | -77.25, -13.54 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.5559 | C1040S,C1048S | PTR980,PTR981 | PTR980,PTR981 | XRAY | 2.35 | 0.226 | 0.265 | D | 288.0 | 274.0 | 12 | 31 | 28 | 3 | [[521, 779], [822, 1097]] | 2.0 | 3zep | Homo sapiens | TYR_JAK3-2_HUMAN | TYR | 2e-81 | 279.1 | 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 |
|---|