Ligand: 9T6 (Peficitinib)

Total number of chains: 9
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 77.8% 6AAKB
DFGin ABAminus 2 22.2% 6AAHB

Hover over column headers for tooltip help

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 JAK1-2 JAK1_HUMAN 6AAHA P23458 865 1154 1154.0 9T6:1201 Type1 Inactive DFGin 6.319 13.457 ABAminus -111.86, -1.07 -147.59, 142.74 -130.77, 31.7 296.21, 81.89 -59.29, -31.87 in-in in 7.837 Saltbr-in 2.785 HRD-in -79.04, -51.9 74.79, 8.24 in-in-out SNCiio in-out ActLoopNT-in 2.804 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.78, 24.87 APE9-dihe-in -65.36, 146.43 APE8-dihe-in -84.69, 80.23 APE8-rot-na 32.65 APE67-dihe-in -73.6, -4.54 -60.24, -33.63 APE12-dist-na 10.501 APE11-dist-na 13.066 APE10-dist-na 9.901 APE9-dist-in 6.422 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.83 0.225 0.255 A 290 285 5 0 0 0 [[583, 847], [875, 1151]] 2.0 6aah TYR_JAK1-2_HUMAN TYR 1.9e-87 298.9 2 259 258 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK1-2 JAK1_HUMAN 6AAHB P23458 865 1154 1154.0 9T6:1201 Type1 Inactive DFGin 6.462 13.588 ABAminus -114.68, 9.66 -151.81, 133.96 -131.35, 23.59 291.95, 87.28 -61.54, -23.21 in-in in 8.041 Saltbr-in 2.614 HRD-in -74.7, -48.84 74.08, 5.49 in-in-in SNCiii in-in ActLoopNT-in 2.783 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.14, 67.65 APE9-dihe-in -109.05, 132.69 APE8-dihe-in -79.19, 76.3 APE8-rot-na 35.14 APE67-dihe-in -76.24, -3.1 -57.7, -33.14 APE12-dist-na 10.191 APE11-dist-na 12.461 APE10-dist-na 9.141 APE9-dist-in 6.543 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.83 0.225 0.255 B 290 286 4 0 0 0 [[583, 847], [875, 1151]] 2.0 6aah TYR_JAK1-2_HUMAN TYR 1.9e-87 298.9 2 259 258 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK2-2 JAK2_HUMAN 6AAJA O60674 843 1130 1132.0 9T6:1201 Type1 Active DFGin 6.538 14.489 BLAminus -115.63, -164.58 40.59, 91.02 -103.17, 27.63 288.93, 89.27 -64.3, -31.13 in-in in 8.29 Saltbr-in 3.264 HRD-in -73.79, -50.75 76.22, -8.05 in-in-in SNCiii in-in ActLoopNT-in 2.662 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -60.45, 121.7 APE9-dihe-in -116.64, 165.17 APE8-dihe-in -82.47, 75.26 APE8-rot-na 26.67 APE67-dihe-in -77.47, -9.05 -66.38, -30.21 APE12-dist-na 11.304 APE11-dist-na 10.897 APE10-dist-na 12.893 APE9-dist-in 7.857 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.37 0.211 0.262 A 299 283 5 0 0 0 [[545, 807], [849, 1125]] 2.0 6aaj TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 1 260 260 993 994 995 997 999 882 898 902 973 975 974 976 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6AAJB O60674 843 1131 1132.0 9T6:1201 Type1 Active DFGin 6.545 14.395 BLAminus -118.96, -159.53 45.76, 82.33 -100.65, 20.72 287.12, 93.43 -66.06, -21.73 in-in in 8.544 Saltbr-in 2.844 HRD-in -65.44, -45.07 71.55, -13.22 in-in-in SNCiii in-in ActLoopNT-in 2.882 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.56, 105.36 APE9-dihe-in -102.08, 153.39 APE8-dihe-in -76.19, 74.45 APE8-rot-na 31.79 APE67-dihe-in -76.6, 0.02 -66.92, -30.87 APE12-dist-na 999.0 APE11-dist-na 12.177 APE10-dist-na 12.802 APE9-dist-in 7.814 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.37 0.211 0.262 B 299 274 15 0 0 2 [[545, 807], [849, 1125]] 2.0 6aaj TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 1 260 260 993 994 995 997 999 882 898 902 973 975 974 976 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK3-2 JAK3_HUMAN 6AAKA P52333 815 1098 1124.0 9T6:1201 Type1 Inactive DFGin 6.426 14.488 BLAminus -141.28, -175.48 60.31, 80.99 -97.75, 30.98 284.74, 77.33 -61.02, -46.05 in-in in 8.525 Saltbr-in 2.67 HRD-in -75.62, -45.99 77.6, -18.1 in-in-out SNCiio in-out ActLoopNT-in 2.736 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -74.2, -11.07 APE9-dihe-in -68.95, 155.07 APE8-dihe-in -47.57, 131.1 APE8-rot-na 329.72 APE67-dihe-in -73.4, -26.9 -66.76, -22.48 APE12-dist-na 11.993 APE11-dist-na 8.673 APE10-dist-na 11.398 APE9-dist-in 7.47 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 A 287 277 7 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKB P52333 815 1100 1124.0 9T6:1201 Type1 Inactive DFGin 6.549 14.313 BLAminus -132.57, -171.05 56.03, 83.09 -98.42, 24.6 281.38, 75.24 -63.47, -40.11 in-in in 8.036 Saltbr-in 2.755 HRD-in -65.5, -48.18 78.33, -13.38 in-in-out SNCiio in-out ActLoopNT-in 2.907 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -123.61, -28.55 APE9-dihe-in -64.46, 151.35 APE8-dihe-in -40.19, 130.42 APE8-rot-na 326.93 APE67-dihe-in -77.17, -14.56 -72.74, -10.57 APE12-dist-na 13.108 APE11-dist-na 9.526 APE10-dist-na 10.085 APE9-dist-in 7.203 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 B 287 285 1 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKC P52333 814 1099 1124.0 9T6:1201 Type1 Active DFGin 6.788 14.635 BLAminus -114.47, 172.4 69.03, 86.81 -107.19, 29.58 286.76, 78.99 -58.47, -55.72 in-in in 8.241 Saltbr-in 2.724 HRD-in -89.94, -41.82 71.73, -3.81 in-in-in SNCiii in-in ActLoopNT-in 2.783 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -68.85, 76.94 APE9-dihe-in -171.36, 163.86 APE8-dihe-in -58.47, 128.31 APE8-rot-na 338.62 APE67-dihe-in -73.56, -5.95 -79.88, -15.99 APE12-dist-na 12.975 APE11-dist-na 9.218 APE10-dist-na 10.399 APE9-dist-in 7.751 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 C 287 276 10 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKD P52333 814 1098 1124.0 9T6:1201 Type1 None DFGin 6.331 14.138 BLAminus -145.03, 168.99 56.55, 97.11 -103.75, 32.24 293.47, 81.71 -62.01, -33.71 in-in in 8.018 Saltbr-in 2.856 HRD-in -76.49, -42.81 76.74, -36.27 in-in-none SNCiin in-none ActLoopNT-in 2.766 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 72.65 APE8-dihe-in -50.29, 134.06 APE8-rot-na 332.19 APE67-dihe-in -63.85, -16.03 -70.13, -20.9 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.384 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 D 287 268 17 0 0 5 [[521, 779], [822, 1097]] 2.0 6aak TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR TYK2-2 TYK2_HUMAN 6AAMA P29597 888 1178 1187.0 9T6:1201 Type1 None DFGin 6.808 13.614 BLAminus -114.96, -166.83 46.97, 77.56 -91.7, 20.81 290.41, 78.57 -55.84, -27.39 in-in in 7.95 Saltbr-in 2.732 HRD-in -93.28, -50.85 70.68, 8.06 in-in-none SNCiin in-none ActLoopNT-in 2.803 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, 25.87 APE8-rot-na 15.0 APE67-dihe-in -73.41, -4.27 -60.18, -33.47 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 C936A,Q969A,E971A,K972A,D1023N,I1114L,C1142A None None XRAY 1.98 0.204 0.238 A 298 269 22 0 0 14 [[589, 868], [897, 1171]] 2.0 6aam TYR_TYK2-2_HUMAN TYR 3.4e-81 278.3 2 260 259 1040 1041 1042 1044 1046 930 947 951 1020 1022 1021 1023 1083 1071 1066 1065 1064 1063 1062 1061 1060 979 Non-receptor tyrosine-protein kinase TYK2

Ligand: 9T6 (Peficitinib)

Total number of chains: 9
Active chains: 3
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 77.8% 6AAKB
DFGin ABAminus 2 22.2% 6AAHB

Hover over column headers for tooltip help

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 JAK1-2 JAK1_HUMAN 6AAHA P23458 865 1154 1154.0 9T6:1201 Type1 Inactive DFGin 6.319 13.457 ABAminus -111.86, -1.07 -147.59, 142.74 -130.77, 31.7 296.21, 81.89 -59.29, -31.87 in-in in 7.837 Saltbr-in 2.785 HRD-in -79.04, -51.9 74.79, 8.24 in-in-out SNCiio in-out ActLoopNT-in 2.804 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.78, 24.87 APE9-dihe-in -65.36, 146.43 APE8-dihe-in -84.69, 80.23 APE8-rot-na 32.65 APE67-dihe-in -73.6, -4.54 -60.24, -33.63 APE12-dist-na 10.501 APE11-dist-na 13.066 APE10-dist-na 9.901 APE9-dist-in 6.422 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.83 0.225 0.255 A 290 285 5 0 0 0 [[583, 847], [875, 1151]] 2.0 6aah Homo sapiens TYR_JAK1-2_HUMAN TYR 1.9e-87 298.9 2 259 258 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK1-2 JAK1_HUMAN 6AAHB P23458 865 1154 1154.0 9T6:1201 Type1 Inactive DFGin 6.462 13.588 ABAminus -114.68, 9.66 -151.81, 133.96 -131.35, 23.59 291.95, 87.28 -61.54, -23.21 in-in in 8.041 Saltbr-in 2.614 HRD-in -74.7, -48.84 74.08, 5.49 in-in-in SNCiii in-in ActLoopNT-in 2.783 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.14, 67.65 APE9-dihe-in -109.05, 132.69 APE8-dihe-in -79.19, 76.3 APE8-rot-na 35.14 APE67-dihe-in -76.24, -3.1 -57.7, -33.14 APE12-dist-na 10.191 APE11-dist-na 12.461 APE10-dist-na 9.141 APE9-dist-in 6.543 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 1.83 0.225 0.255 B 290 286 4 0 0 0 [[583, 847], [875, 1151]] 2.0 6aah Homo sapiens TYR_JAK1-2_HUMAN TYR 1.9e-87 298.9 2 259 258 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR JAK2-2 JAK2_HUMAN 6AAJA O60674 843 1130 1132.0 9T6:1201 Type1 Active DFGin 6.538 14.489 BLAminus -115.63, -164.58 40.59, 91.02 -103.17, 27.63 288.93, 89.27 -64.3, -31.13 in-in in 8.29 Saltbr-in 3.264 HRD-in -73.79, -50.75 76.22, -8.05 in-in-in SNCiii in-in ActLoopNT-in 2.662 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -60.45, 121.7 APE9-dihe-in -116.64, 165.17 APE8-dihe-in -82.47, 75.26 APE8-rot-na 26.67 APE67-dihe-in -77.47, -9.05 -66.38, -30.21 APE12-dist-na 11.304 APE11-dist-na 10.897 APE10-dist-na 12.893 APE9-dist-in 7.857 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.37 0.211 0.262 A 299 283 5 0 0 0 [[545, 807], [849, 1125]] 2.0 6aaj Homo sapiens TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 1 260 260 993 994 995 997 999 882 898 902 973 975 974 976 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6AAJB O60674 843 1131 1132.0 9T6:1201 Type1 Active DFGin 6.545 14.395 BLAminus -118.96, -159.53 45.76, 82.33 -100.65, 20.72 287.12, 93.43 -66.06, -21.73 in-in in 8.544 Saltbr-in 2.844 HRD-in -65.44, -45.07 71.55, -13.22 in-in-in SNCiii in-in ActLoopNT-in 2.882 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.56, 105.36 APE9-dihe-in -102.08, 153.39 APE8-dihe-in -76.19, 74.45 APE8-rot-na 31.79 APE67-dihe-in -76.6, 0.02 -66.92, -30.87 APE12-dist-na 999.0 APE11-dist-na 12.177 APE10-dist-na 12.802 APE9-dist-in 7.814 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.37 0.211 0.262 B 299 274 15 0 0 2 [[545, 807], [849, 1125]] 2.0 6aaj Homo sapiens TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 1 260 260 993 994 995 997 999 882 898 902 973 975 974 976 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK3-2 JAK3_HUMAN 6AAKA P52333 815 1098 1124.0 9T6:1201 Type1 Inactive DFGin 6.426 14.488 BLAminus -141.28, -175.48 60.31, 80.99 -97.75, 30.98 284.74, 77.33 -61.02, -46.05 in-in in 8.525 Saltbr-in 2.67 HRD-in -75.62, -45.99 77.6, -18.1 in-in-out SNCiio in-out ActLoopNT-in 2.736 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -74.2, -11.07 APE9-dihe-in -68.95, 155.07 APE8-dihe-in -47.57, 131.1 APE8-rot-na 329.72 APE67-dihe-in -73.4, -26.9 -66.76, -22.48 APE12-dist-na 11.993 APE11-dist-na 8.673 APE10-dist-na 11.398 APE9-dist-in 7.47 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 A 287 277 7 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak Homo sapiens TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKB P52333 815 1100 1124.0 9T6:1201 Type1 Inactive DFGin 6.549 14.313 BLAminus -132.57, -171.05 56.03, 83.09 -98.42, 24.6 281.38, 75.24 -63.47, -40.11 in-in in 8.036 Saltbr-in 2.755 HRD-in -65.5, -48.18 78.33, -13.38 in-in-out SNCiio in-out ActLoopNT-in 2.907 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -123.61, -28.55 APE9-dihe-in -64.46, 151.35 APE8-dihe-in -40.19, 130.42 APE8-rot-na 326.93 APE67-dihe-in -77.17, -14.56 -72.74, -10.57 APE12-dist-na 13.108 APE11-dist-na 9.526 APE10-dist-na 10.085 APE9-dist-in 7.203 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 B 287 285 1 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak Homo sapiens TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKC P52333 814 1099 1124.0 9T6:1201 Type1 Active DFGin 6.788 14.635 BLAminus -114.47, 172.4 69.03, 86.81 -107.19, 29.58 286.76, 78.99 -58.47, -55.72 in-in in 8.241 Saltbr-in 2.724 HRD-in -89.94, -41.82 71.73, -3.81 in-in-in SNCiii in-in ActLoopNT-in 2.783 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -68.85, 76.94 APE9-dihe-in -171.36, 163.86 APE8-dihe-in -58.47, 128.31 APE8-rot-na 338.62 APE67-dihe-in -73.56, -5.95 -79.88, -15.99 APE12-dist-na 12.975 APE11-dist-na 9.218 APE10-dist-na 10.399 APE9-dist-in 7.751 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 C 287 276 10 0 0 0 [[521, 779], [822, 1097]] 2.0 6aak Homo sapiens TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR JAK3-2 JAK3_HUMAN 6AAKD P52333 814 1098 1124.0 9T6:1201 Type1 None DFGin 6.331 14.138 BLAminus -145.03, 168.99 56.55, 97.11 -103.75, 32.24 293.47, 81.71 -62.01, -33.71 in-in in 8.018 Saltbr-in 2.856 HRD-in -76.49, -42.81 76.74, -36.27 in-in-none SNCiin in-none ActLoopNT-in 2.766 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 72.65 APE8-dihe-in -50.29, 134.06 APE8-rot-na 332.19 APE67-dihe-in -63.85, -16.03 -70.13, -20.9 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.384 C1040S,C1048S PTR980,PTR981 PTR980,PTR981 XRAY 2.67 0.269 0.326 D 287 268 17 0 0 5 [[521, 779], [822, 1097]] 2.0 6aak Homo sapiens TYR_JAK3-2_HUMAN TYR 1.9e-81 279.1 1 260 260 966 967 968 970 972 855 871 875 946 948 947 949 1009 997 992 991 990 989 988 987 986 903 Tyrosine-protein kinase JAK3
TYR TYK2-2 TYK2_HUMAN 6AAMA P29597 888 1178 1187.0 9T6:1201 Type1 None DFGin 6.808 13.614 BLAminus -114.96, -166.83 46.97, 77.56 -91.7, 20.81 290.41, 78.57 -55.84, -27.39 in-in in 7.95 Saltbr-in 2.732 HRD-in -93.28, -50.85 70.68, 8.06 in-in-none SNCiin in-none ActLoopNT-in 2.803 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, 25.87 APE8-rot-na 15.0 APE67-dihe-in -73.41, -4.27 -60.18, -33.47 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 C936A,Q969A,E971A,K972A,D1023N,I1114L,C1142A None None XRAY 1.98 0.204 0.238 A 298 269 22 0 0 14 [[589, 868], [897, 1171]] 2.0 6aam Homo sapiens TYR_TYK2-2_HUMAN TYR 3.4e-81 278.3 2 260 259 1040 1041 1042 1044 1046 930 947 951 1020 1022 1021 1023 1083 1071 1066 1065 1064 1063 1062 1061 1060 979 Non-receptor tyrosine-protein kinase TYK2

Ligand: 9T6 (Peficitinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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