Ligand: 2V9 (Lestaurtinib)

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 8BPWA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
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
AGC PKN1 PKN1_HUMAN 4OTGA Q16512 605 940 942.0 2V9:61001 Type1 Inactive DFGin 6.7387 12.4491 ABAminus -116.77, -25.12 -127.23, 113.95 -111.64, 25.58 303.73, 88.71 -62.85, -32.83 in-in in 9.3806 Saltbr-in 3.1333 HRD-in -89.2, -47.92 78.18, -34.6 in-in-in SNCiii in-in ActLoopNT-in 3.0927 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.02, 157.82 APE9-dihe-na 102.38, 173.73 APE8-dihe-in -80.23, 111.75 APE8-rot-in 307.07 APE67-dihe-in -68.66, -15.76 -46.78, -35.82 APE12-dist-in 8.3339 APE11-dist-in 11.6687 APE10-dist-in 6.0556 APE9-dist-in 5.4231 None TPO774,SEP916 TPO774,SEP916 XRAY 2.6 0.212 0.268 A 341.0 324.0 0 28 28 0 [[615, 874]] 1.0 4otg AGC_PKN1_HUMAN AGC 1.9e-90 308.4 1.0 260.0 260.0 757 758 759 761 763 644 663 667 737 739 738 740.0 797 785 780 779 778 777 776 775 774 696 Serine/threonine-protein kinase N1
TYR JAK2-2 JAK2_HUMAN 8BPWA O60674 840 1132 1132.0 2V9:61201 Type1 Inactive DFGin 6.2153 13.6456 ABAminus -115.19, -48.31 -103.06, 116.82 -112.02, 18.76 287.81, 84.2 -63.54, -25.29 in-in in 8.4837 Saltbr-in 2.9959 HRD-in -64.59, -48.42 72.07, 3.03 in-in-in SNCiii in-in ActLoopNT-in 2.7803 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.29, 123.58 APE9-dihe-in -114.84, 131.32 APE8-dihe-in -78.29, 74.82 APE8-rot-na 31.98 APE67-dihe-in -81.09, 3.66 -62.61, -27.13 APE12-dist-na 11.0549 APE11-dist-na 10.031 APE10-dist-na 10.285 APE9-dist-in 7.4663 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.163 0.197 A 317.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bpw TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 8BPWB O60674 840 1132 1132.0 2V9:61201 Type1 Inactive DFGin 6.2974 13.8872 ABAminus -111.51, -47.7 -108.79, 109.16 -104.77, 22.85 290.19, 83.67 -62.05, -23.01 in-in in 8.7351 Saltbr-in 3.0248 HRD-in -67.26, -44.61 65.05, 5.26 in-in-in SNCiii in-in ActLoopNT-in 2.7612 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.76, 134.33 APE9-dihe-in -123.62, 132.56 APE8-dihe-in -77.84, 75.4 APE8-rot-na 31.91 APE67-dihe-in -80.86, -1.2 -58.88, -29.17 APE12-dist-na 11.0749 APE11-dist-na 9.6215 APE10-dist-na 10.468 APE9-dist-in 7.2974 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.163 0.197 B 317.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bpw TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2

Ligand: 2V9 (Lestaurtinib)

Total number of chains: 4
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 75.0% 8BPWA
DFGin BLAminus 1 25.0% 5WNJA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
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
AGC PKN1 PKN1_HUMAN 4OTGA Q16512 605 940 942.0 2V9:61001 Type1 Inactive DFGin 6.7387 12.4491 ABAminus -116.77, -25.12 -127.23, 113.95 -111.64, 25.58 303.73, 88.71 -62.85, -32.83 in-in in 9.3806 Saltbr-in 3.1333 HRD-in -89.2, -47.92 78.18, -34.6 in-in-in SNCiii in-in ActLoopNT-in 3.0927 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -157.02, 157.82 APE9-dihe-na 102.38, 173.73 APE8-dihe-in -80.23, 111.75 APE8-rot-in 307.07 APE67-dihe-in -68.66, -15.76 -46.78, -35.82 APE12-dist-in 8.3339 APE11-dist-in 11.6687 APE10-dist-in 6.0556 APE9-dist-in 5.4231 None TPO774,SEP916 TPO774,SEP916 XRAY 2.6 0.212 0.268 A 341.0 324.0 0 28 28 0 [[615, 874]] 1.0 4otg Homo sapiens AGC_PKN1_HUMAN AGC 1.9e-90 308.4 1.0 260.0 260.0 757 758 759 761 763 644 663 667 737 739 738 740.0 797 785 780 779 778 777 776 775 774 696 Serine/threonine-protein kinase N1
TYR JAK2-2 JAK2_HUMAN 8BPWA O60674 840 1132 1132.0 2V9:61201 Type1 Inactive DFGin 6.2153 13.6456 ABAminus -115.19, -48.31 -103.06, 116.82 -112.02, 18.76 287.81, 84.2 -63.54, -25.29 in-in in 8.4837 Saltbr-in 2.9959 HRD-in -64.59, -48.42 72.07, 3.03 in-in-in SNCiii in-in ActLoopNT-in 2.7803 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.29, 123.58 APE9-dihe-in -114.84, 131.32 APE8-dihe-in -78.29, 74.82 APE8-rot-na 31.98 APE67-dihe-in -81.09, 3.66 -62.61, -27.13 APE12-dist-na 11.0549 APE11-dist-na 10.031 APE10-dist-na 10.285 APE9-dist-in 7.4663 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.163 0.197 A 317.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bpw Homo sapiens TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 8BPWB O60674 840 1132 1132.0 2V9:61201 Type1 Inactive DFGin 6.2974 13.8872 ABAminus -111.51, -47.7 -108.79, 109.16 -104.77, 22.85 290.19, 83.67 -62.05, -23.01 in-in in 8.7351 Saltbr-in 3.0248 HRD-in -67.26, -44.61 65.05, 5.26 in-in-in SNCiii in-in ActLoopNT-in 2.7612 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.76, 134.33 APE9-dihe-in -123.62, 132.56 APE8-dihe-in -77.84, 75.4 APE8-rot-na 31.91 APE67-dihe-in -80.86, -1.2 -58.88, -29.17 APE12-dist-na 11.0749 APE11-dist-na 9.6215 APE10-dist-na 10.468 APE9-dist-in 7.2974 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.163 0.197 B 317.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bpw Homo sapiens TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TKL RIPK4 RIPK4_MOUSE 5WNJA Q9ERK0 10 289 786.0 2V9:401 Type1 Inactive DFGin 5.2595 14.6642 BLAminus -127.8, -174.68 60.62, 84.85 -99.96, 17.65 286.18, 74.24 -54.52, -35.7 in-in in 8.9963 Saltbr-in 2.8501 HRD-in -77.0, -51.72 66.97, 3.03 in-in-out SNCiio in-out ActLoopNT-in 2.9672 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -159.19 APE9-dihe-na -75.21, -3.62 APE8-dihe-out -71.73, -9.01 APE8-rot-out 66.05 APE67-dihe-in -63.24, -28.73 -58.74, -34.97 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.185 APE9-dist-out 11.7427 D143N None None XRAY 2.55 0.221 0.252 A 342.0 264.0 16 31 17 14 [[19, 285]] 1.0 5wnj Mus musculus TKL_RIPK4_MOUSE TKL 1.4e-74 257.0 4.0 266.0 263.0 160 161 162 164 166 51 69 73 140 142 141 143.0 205 191 186 185 184 183 182 181 180 97 Receptor-interacting serine/threonine-protein kinase 4

Ligand: 2V9 (Lestaurtinib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 5WNJA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
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
TKL RIPK4 RIPK4_MOUSE 5WNJA Q9ERK0 10 289 786.0 2V9:401 Type1 Inactive DFGin 5.2595 14.6642 BLAminus -127.8, -174.68 60.62, 84.85 -99.96, 17.65 286.18, 74.24 -54.52, -35.7 in-in in 8.9963 Saltbr-in 2.8501 HRD-in -77.0, -51.72 66.97, 3.03 in-in-out SNCiio in-out ActLoopNT-in 2.9672 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -159.19 APE9-dihe-na -75.21, -3.62 APE8-dihe-out -71.73, -9.01 APE8-rot-out 66.05 APE67-dihe-in -63.24, -28.73 -58.74, -34.97 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 13.185 APE9-dist-out 11.7427 D143N None None XRAY 2.55 0.221 0.252 A 342.0 264.0 16 31 17 14 [[19, 285]] 1.0 5wnj Mus musculus TKL_RIPK4_MOUSE TKL 1.4e-74 257.0 4.0 266.0 263.0 160 161 162 164 166 51 69 73 140 142 141 143.0 205 191 186 185 184 183 182 181 180 97 Receptor-interacting serine/threonine-protein kinase 4