Ligand: RXT (Ruxolitinib, Jakafi)

Total number of chains: 11
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 10 90.9% 6VGLA
DFGin BLAminus 1 9.1% 7F3GA
All chains - renumbered by
Uniprot PDB Alignment

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
CAMK DCLK1 DCLK1_HUMAN 7F3GB O15075 383 648 740.0 RXT:701 Type1 Inactive DFGin 6.567 14.311 ABAminus -108.04, -60.47 -100.56, 120.82 -111.69, 25.7 288.33, 76.97 -51.18, -42.48 in-in in 8.622 Saltbr-in 2.858 HRD-in -80.95, -52.44 75.55, 2.52 in-in-in SNCiii in-in ActLoopNT-in 3.006 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.31, 168.51 APE9-dihe-na 110.82, -171.39 APE8-dihe-in -104.62, 128.19 APE8-rot-in 303.16 APE67-dihe-in -50.98, -36.62 -46.07, -49.26 APE12-dist-in 8.968 APE11-dist-in 12.361 APE10-dist-in 6.746 APE9-dist-in 3.938 None None None XRAY 2.1 0.213 0.253 B 282 266 0 0 0 0 [[390, 647]] 1.0 7f3g CAMK_DCLK1_HUMAN CAMK 6.3e-90 306.9 1 256 256 532 533 534 536 538 419 436 440 508 510 509 511 569 557 552 551 550 549 548 547 546 466 Serine/threonine-protein kinase DCLK1
CAMK DCLK1 DCLK1_HUMAN 7F3GA O15075 376 648 740.0 RXT:701 Type1 Active DFGin 6.674 14.379 BLAminus -131.42, -164.35 50.73, 76.39 -91.35, 23.05 284.75, 76.39 -54.91, -40.4 in-in in 8.723 Saltbr-in 2.679 HRD-in -76.96, -53.39 78.05, 3.73 in-in-in SNCiii in-in ActLoopNT-in 3.015 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.25, 161.47 APE9-dihe-na 117.41, -174.72 APE8-dihe-in -98.2, 123.83 APE8-rot-in 304.21 APE67-dihe-in -51.76, -35.68 -44.27, -44.97 APE12-dist-in 8.951 APE11-dist-in 12.299 APE10-dist-in 6.676 APE9-dist-in 3.964 None None None XRAY 2.1 0.213 0.253 A 282 273 0 0 0 0 [[390, 647]] 1.0 7f3g CAMK_DCLK1_HUMAN CAMK 6.3e-90 306.9 1 256 256 532 533 534 536 538 419 436 440 508 510 509 511 569 557 552 551 550 549 548 547 546 466 Serine/threonine-protein kinase DCLK1
TYR JAK2-2 JAK2_HUMAN 6VGLA O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.446 13.513 ABAminus -117.0, -7.21 -146.07, 141.05 -130.49, 28.54 292.94, 81.12 -65.56, -22.11 in-in in 8.428 Saltbr-in 2.754 HRD-in -71.73, -48.4 73.96, -1.64 in-in-in SNCiii in-in ActLoopNT-in 2.781 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -88.11, 129.62 APE9-dihe-in -121.72, 122.37 APE8-dihe-in -84.02, 76.32 APE8-rot-na 33.09 APE67-dihe-in -78.28, -3.75 -61.51, -29.27 APE12-dist-na 13.555 APE11-dist-na 9.49 APE10-dist-na 8.47 APE9-dist-in 7.051 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 A 308 293 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLB O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.445 13.616 ABAminus -116.85, -7.44 -149.05, 140.79 -130.84, 27.89 290.32, 82.4 -67.42, -21.82 in-in in 8.398 Saltbr-in 2.781 HRD-in -71.23, -46.75 71.83, -3.65 in-in-in SNCiii in-in ActLoopNT-in 2.815 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -93.23, 146.01 APE9-dihe-in -126.07, 123.7 APE8-dihe-in -81.61, 74.86 APE8-rot-na 31.65 APE67-dihe-in -77.61, -3.9 -60.75, -30.09 APE12-dist-na 13.288 APE11-dist-na 9.377 APE10-dist-na 8.665 APE9-dist-in 6.981 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 B 308 293 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLC O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.222 13.379 ABAminus -115.55, -9.12 -143.9, 140.61 -132.23, 26.54 293.7, 85.16 -65.11, -21.72 in-in in 8.417 Saltbr-in 2.704 HRD-in -73.34, -48.11 71.88, -3.21 in-in-in SNCiii in-in ActLoopNT-in 2.813 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.66, 127.53 APE9-dihe-in -113.0, 141.05 APE8-dihe-in -75.8, 72.0 APE8-rot-na 32.54 APE67-dihe-in -77.35, -4.0 -61.49, -27.59 APE12-dist-na 13.338 APE11-dist-na 13.082 APE10-dist-na 13.222 APE9-dist-in 7.904 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 C 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLD O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.288 13.488 ABAminus -116.23, -6.92 -148.77, 141.37 -133.22, 26.24 295.62, 83.68 -64.72, -19.37 in-in in 8.434 Saltbr-in 2.677 HRD-in -70.05, -46.57 72.2, -0.79 in-in-in SNCiii in-in ActLoopNT-in 2.763 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -82.83, 129.61 APE9-dihe-in -113.86, 144.08 APE8-dihe-in -77.54, 74.01 APE8-rot-na 34.3 APE67-dihe-in -79.99, -2.4 -62.52, -26.5 APE12-dist-na 13.31 APE11-dist-na 13.261 APE10-dist-na 13.273 APE9-dist-in 7.82 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 D 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKA O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.346 13.504 ABAminus -115.53, -9.34 -146.7, 139.79 -130.65, 29.08 297.41, 82.92 -64.51, -25.93 in-in in 8.37 Saltbr-in 2.823 HRD-in -72.4, -46.44 73.38, -6.51 in-in-in SNCiii in-in ActLoopNT-in 2.748 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.17, 138.86 APE9-dihe-in -125.9, 117.8 APE8-dihe-in -77.19, 70.99 APE8-rot-na 34.11 APE67-dihe-in -82.04, -0.49 -60.88, -24.48 APE12-dist-na 13.289 APE11-dist-na 9.078 APE10-dist-na 8.5 APE9-dist-in 6.887 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 A 308 292 1 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKB O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.484 13.471 ABAminus -114.35, -10.36 -144.27, 138.95 -130.65, 27.3 296.72, 80.78 -63.16, -24.64 in-in in 8.645 Saltbr-in 2.956 HRD-in -76.05, -48.13 73.42, -7.36 in-in-in SNCiii in-in ActLoopNT-in 2.805 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -78.22, 137.32 APE9-dihe-in -130.36, 114.06 APE8-dihe-in -78.87, 73.36 APE8-rot-na 31.4 APE67-dihe-in -82.55, -2.95 -58.49, -25.22 APE12-dist-na 13.259 APE11-dist-na 9.498 APE10-dist-na 8.289 APE9-dist-in 6.947 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 B 308 292 1 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKC O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.298 13.465 ABAminus -116.4, -8.39 -145.93, 138.87 -131.99, 24.75 293.4, 87.91 -62.13, -24.17 in-in in 8.433 Saltbr-in 2.775 HRD-in -70.05, -46.67 72.0, -3.71 in-in-out SNCiio in-out ActLoopNT-in 2.675 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -53.68, 136.82 APE9-dihe-in -128.24, 127.1 APE8-dihe-in -70.94, 70.21 APE8-rot-na 30.43 APE67-dihe-in -80.64, -2.41 -62.95, -22.96 APE12-dist-na 13.512 APE11-dist-na 12.93 APE10-dist-na 12.063 APE9-dist-out 8.085 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 C 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKD O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.112 13.457 ABAminus -114.41, -10.28 -145.24, 140.17 -129.26, 27.8 295.47, 88.05 -63.2, -27.61 in-in in 8.501 Saltbr-in 2.688 HRD-in -73.35, -47.11 71.95, -9.02 in-in-in SNCiii in-in ActLoopNT-in 2.72 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.65, 135.59 APE9-dihe-in -122.99, 135.75 APE8-dihe-in -71.71, 68.28 APE8-rot-na 32.34 APE67-dihe-in -81.87, -2.23 -61.51, -23.34 APE12-dist-na 13.283 APE11-dist-na 12.874 APE10-dist-na 12.716 APE9-dist-in 7.747 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 D 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6WTNA O60674 843 1132 1132.0 RXT:61204 Type1 Inactive DFGin 6.303 13.472 ABAminus -111.65, -11.4 -144.34, 142.04 -130.65, 26.85 297.43, 84.86 -63.08, -21.36 in-in in 8.376 Saltbr-in 2.731 HRD-in -72.34, -45.85 71.67, 3.57 in-in-none SNCiin in-none ActLoopNT-in 2.822 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 99.29 APE9-dihe-in -135.56, 143.51 APE8-dihe-in -77.16, 75.07 APE8-rot-na 31.93 APE67-dihe-in -77.79, -2.65 -63.55, -26.41 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.496 APE9-dist-in 7.601 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.83 0.188 0.208 A 309 284 6 0 0 4 [[545, 807], [849, 1125]] 2.0 6wtn TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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

Ligand: RXT (Ruxolitinib, Jakafi)

Total number of chains: 13
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 10 76.9% 6VGLA
DFGin BLAminus 3 23.1% 7F3GA
All chains - renumbered by
Uniprot PDB Alignment

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 SRC SRC_CHICK 4U5JA P00523 259 533 533.0 RXT:601 Type1 Inactive DFGin 6.615 14.427 BLAminus -132.44, -172.38 49.42, 78.35 -93.59, 26.85 289.78, 84.64 -56.07, -27.39 in-out in 7.811 Saltbr-out 3.842 HRD-in -92.67, -47.63 74.05, -1.07 out-in-in SNCoii in-in ActLoopNT-in 2.956 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -136.12, 140.82 APE9-dihe-in -99.32, 159.34 APE8-dihe-in -63.94, 101.11 APE8-rot-na 27.92 APE67-dihe-in -73.48, -21.36 -57.59, -25.57 APE12-dist-na 8.038 APE11-dist-na 12.712 APE10-dist-na 13.19 APE9-dist-in 6.572 None None None XRAY 2.26 0.199 0.236 A 286 267 8 0 0 8 [[267, 518]] 1.0 4u5j Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 4U5JB P00523 259 533 533.0 RXT:601 Type1 Inactive DFGin 5.727 13.645 BLAminus -108.21, -158.02 77.85, 76.14 -118.47, 26.87 313.76, 154.07 -79.86, 12.6 in-out in 9.917 Saltbr-out 7.909 HRD-in -81.48, -54.74 81.34, -12.82 out-in-in SNCoii in-in ActLoopNT-in 2.963 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.0, 60.57 APE9-dihe-in -63.56, 151.74 APE8-dihe-in -71.95, 95.86 APE8-rot-na 26.53 APE67-dihe-in -63.16, -24.83 -54.41, -37.13 APE12-dist-na 7.527 APE11-dist-na 11.981 APE10-dist-na 13.357 APE9-dist-in 7.235 None None None XRAY 2.26 0.199 0.236 B 286 267 8 0 0 8 [[267, 518]] 1.0 4u5j Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
CAMK DCLK1 DCLK1_HUMAN 7F3GB O15075 383 648 740.0 RXT:701 Type1 Inactive DFGin 6.567 14.311 ABAminus -108.04, -60.47 -100.56, 120.82 -111.69, 25.7 288.33, 76.97 -51.18, -42.48 in-in in 8.622 Saltbr-in 2.858 HRD-in -80.95, -52.44 75.55, 2.52 in-in-in SNCiii in-in ActLoopNT-in 3.006 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.31, 168.51 APE9-dihe-na 110.82, -171.39 APE8-dihe-in -104.62, 128.19 APE8-rot-in 303.16 APE67-dihe-in -50.98, -36.62 -46.07, -49.26 APE12-dist-in 8.968 APE11-dist-in 12.361 APE10-dist-in 6.746 APE9-dist-in 3.938 None None None XRAY 2.1 0.213 0.253 B 282 266 0 0 0 0 [[390, 647]] 1.0 7f3g Homo sapiens CAMK_DCLK1_HUMAN CAMK 6.3e-90 306.9 1 256 256 532 533 534 536 538 419 436 440 508 510 509 511 569 557 552 551 550 549 548 547 546 466 Serine/threonine-protein kinase DCLK1
CAMK DCLK1 DCLK1_HUMAN 7F3GA O15075 376 648 740.0 RXT:701 Type1 Active DFGin 6.674 14.379 BLAminus -131.42, -164.35 50.73, 76.39 -91.35, 23.05 284.75, 76.39 -54.91, -40.4 in-in in 8.723 Saltbr-in 2.679 HRD-in -76.96, -53.39 78.05, 3.73 in-in-in SNCiii in-in ActLoopNT-in 3.015 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -153.25, 161.47 APE9-dihe-na 117.41, -174.72 APE8-dihe-in -98.2, 123.83 APE8-rot-in 304.21 APE67-dihe-in -51.76, -35.68 -44.27, -44.97 APE12-dist-in 8.951 APE11-dist-in 12.299 APE10-dist-in 6.676 APE9-dist-in 3.964 None None None XRAY 2.1 0.213 0.253 A 282 273 0 0 0 0 [[390, 647]] 1.0 7f3g Homo sapiens CAMK_DCLK1_HUMAN CAMK 6.3e-90 306.9 1 256 256 532 533 534 536 538 419 436 440 508 510 509 511 569 557 552 551 550 549 548 547 546 466 Serine/threonine-protein kinase DCLK1
TYR JAK2-2 JAK2_HUMAN 6VGLA O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.446 13.513 ABAminus -117.0, -7.21 -146.07, 141.05 -130.49, 28.54 292.94, 81.12 -65.56, -22.11 in-in in 8.428 Saltbr-in 2.754 HRD-in -71.73, -48.4 73.96, -1.64 in-in-in SNCiii in-in ActLoopNT-in 2.781 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -88.11, 129.62 APE9-dihe-in -121.72, 122.37 APE8-dihe-in -84.02, 76.32 APE8-rot-na 33.09 APE67-dihe-in -78.28, -3.75 -61.51, -29.27 APE12-dist-na 13.555 APE11-dist-na 9.49 APE10-dist-na 8.47 APE9-dist-in 7.051 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 A 308 293 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLB O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.445 13.616 ABAminus -116.85, -7.44 -149.05, 140.79 -130.84, 27.89 290.32, 82.4 -67.42, -21.82 in-in in 8.398 Saltbr-in 2.781 HRD-in -71.23, -46.75 71.83, -3.65 in-in-in SNCiii in-in ActLoopNT-in 2.815 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -93.23, 146.01 APE9-dihe-in -126.07, 123.7 APE8-dihe-in -81.61, 74.86 APE8-rot-na 31.65 APE67-dihe-in -77.61, -3.9 -60.75, -30.09 APE12-dist-na 13.288 APE11-dist-na 9.377 APE10-dist-na 8.665 APE9-dist-in 6.981 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 B 308 293 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLC O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.222 13.379 ABAminus -115.55, -9.12 -143.9, 140.61 -132.23, 26.54 293.7, 85.16 -65.11, -21.72 in-in in 8.417 Saltbr-in 2.704 HRD-in -73.34, -48.11 71.88, -3.21 in-in-in SNCiii in-in ActLoopNT-in 2.813 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.66, 127.53 APE9-dihe-in -113.0, 141.05 APE8-dihe-in -75.8, 72.0 APE8-rot-na 32.54 APE67-dihe-in -77.35, -4.0 -61.49, -27.59 APE12-dist-na 13.338 APE11-dist-na 13.082 APE10-dist-na 13.222 APE9-dist-in 7.904 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 C 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VGLD O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.288 13.488 ABAminus -116.23, -6.92 -148.77, 141.37 -133.22, 26.24 295.62, 83.68 -64.72, -19.37 in-in in 8.434 Saltbr-in 2.677 HRD-in -70.05, -46.57 72.2, -0.79 in-in-in SNCiii in-in ActLoopNT-in 2.763 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -82.83, 129.61 APE9-dihe-in -113.86, 144.08 APE8-dihe-in -77.54, 74.01 APE8-rot-na 34.3 APE67-dihe-in -79.99, -2.4 -62.52, -26.5 APE12-dist-na 13.31 APE11-dist-na 13.261 APE10-dist-na 13.273 APE9-dist-in 7.82 None PTR1007 PTR1007 XRAY 1.9 0.182 0.217 D 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vgl Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKA O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.346 13.504 ABAminus -115.53, -9.34 -146.7, 139.79 -130.65, 29.08 297.41, 82.92 -64.51, -25.93 in-in in 8.37 Saltbr-in 2.823 HRD-in -72.4, -46.44 73.38, -6.51 in-in-in SNCiii in-in ActLoopNT-in 2.748 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.17, 138.86 APE9-dihe-in -125.9, 117.8 APE8-dihe-in -77.19, 70.99 APE8-rot-na 34.11 APE67-dihe-in -82.04, -0.49 -60.88, -24.48 APE12-dist-na 13.289 APE11-dist-na 9.078 APE10-dist-na 8.5 APE9-dist-in 6.887 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 A 308 292 1 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKB O60674 840 1132 1132.0 RXT:61201 Type1 Inactive DFGin 6.484 13.471 ABAminus -114.35, -10.36 -144.27, 138.95 -130.65, 27.3 296.72, 80.78 -63.16, -24.64 in-in in 8.645 Saltbr-in 2.956 HRD-in -76.05, -48.13 73.42, -7.36 in-in-in SNCiii in-in ActLoopNT-in 2.805 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -78.22, 137.32 APE9-dihe-in -130.36, 114.06 APE8-dihe-in -78.87, 73.36 APE8-rot-na 31.4 APE67-dihe-in -82.55, -2.95 -58.49, -25.22 APE12-dist-na 13.259 APE11-dist-na 9.498 APE10-dist-na 8.289 APE9-dist-in 6.947 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 B 308 292 1 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKC O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.298 13.465 ABAminus -116.4, -8.39 -145.93, 138.87 -131.99, 24.75 293.4, 87.91 -62.13, -24.17 in-in in 8.433 Saltbr-in 2.775 HRD-in -70.05, -46.67 72.0, -3.71 in-in-out SNCiio in-out ActLoopNT-in 2.675 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -53.68, 136.82 APE9-dihe-in -128.24, 127.1 APE8-dihe-in -70.94, 70.21 APE8-rot-na 30.43 APE67-dihe-in -80.64, -2.41 -62.95, -22.96 APE12-dist-na 13.512 APE11-dist-na 12.93 APE10-dist-na 12.063 APE9-dist-out 8.085 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 C 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6VNKD O60674 843 1131 1132.0 RXT:61201 Type1 Inactive DFGin 6.112 13.457 ABAminus -114.41, -10.28 -145.24, 140.17 -129.26, 27.8 295.47, 88.05 -63.2, -27.61 in-in in 8.501 Saltbr-in 2.688 HRD-in -73.35, -47.11 71.95, -9.02 in-in-in SNCiii in-in ActLoopNT-in 2.72 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.65, 135.59 APE9-dihe-in -122.99, 135.75 APE8-dihe-in -71.71, 68.28 APE8-rot-na 32.34 APE67-dihe-in -81.87, -2.23 -61.51, -23.34 APE12-dist-na 13.283 APE11-dist-na 12.874 APE10-dist-na 12.716 APE9-dist-in 7.747 None PTR1007 PTR1007 XRAY 2.0 0.219 0.244 D 308 289 0 0 0 0 [[545, 807], [849, 1125]] 2.0 6vnk Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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 6WTNA O60674 843 1132 1132.0 RXT:61204 Type1 Inactive DFGin 6.303 13.472 ABAminus -111.65, -11.4 -144.34, 142.04 -130.65, 26.85 297.43, 84.86 -63.08, -21.36 in-in in 8.376 Saltbr-in 2.731 HRD-in -72.34, -45.85 71.67, 3.57 in-in-none SNCiin in-none ActLoopNT-in 2.822 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 99.29 APE9-dihe-in -135.56, 143.51 APE8-dihe-in -77.16, 75.07 APE8-rot-na 31.93 APE67-dihe-in -77.79, -2.65 -63.55, -26.41 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.496 APE9-dist-in 7.601 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.83 0.188 0.208 A 309 284 6 0 0 4 [[545, 807], [849, 1125]] 2.0 6wtn Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 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

Ligand: RXT (Ruxolitinib, Jakafi)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4U5JA
All chains - renumbered by
Uniprot PDB Alignment

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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
TYR SRC SRC_CHICK 4U5JA P00523 259 533 533.0 RXT:601 Type1 Inactive DFGin 6.615 14.427 BLAminus -132.44, -172.38 49.42, 78.35 -93.59, 26.85 289.78, 84.64 -56.07, -27.39 in-out in 7.811 Saltbr-out 3.842 HRD-in -92.67, -47.63 74.05, -1.07 out-in-in SNCoii in-in ActLoopNT-in 2.956 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -136.12, 140.82 APE9-dihe-in -99.32, 159.34 APE8-dihe-in -63.94, 101.11 APE8-rot-na 27.92 APE67-dihe-in -73.48, -21.36 -57.59, -25.57 APE12-dist-na 8.038 APE11-dist-na 12.712 APE10-dist-na 13.19 APE9-dist-in 6.572 None None None XRAY 2.26 0.199 0.236 A 286 267 8 0 0 8 [[267, 518]] 1.0 4u5j Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 4U5JB P00523 259 533 533.0 RXT:601 Type1 Inactive DFGin 5.727 13.645 BLAminus -108.21, -158.02 77.85, 76.14 -118.47, 26.87 313.76, 154.07 -79.86, 12.6 in-out in 9.917 Saltbr-out 7.909 HRD-in -81.48, -54.74 81.34, -12.82 out-in-in SNCoii in-in ActLoopNT-in 2.963 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.0, 60.57 APE9-dihe-in -63.56, 151.74 APE8-dihe-in -71.95, 95.86 APE8-rot-na 26.53 APE67-dihe-in -63.16, -24.83 -54.41, -37.13 APE12-dist-na 7.527 APE11-dist-na 11.981 APE10-dist-na 13.357 APE9-dist-in 7.235 None None None XRAY 2.26 0.199 0.236 B 286 267 8 0 0 8 [[267, 518]] 1.0 4u5j Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src