Ligand: 38Z

Total number of chains: 5
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 80.0% 4QTBA
DFGin ABAminus 1 20.0% 4QTDA

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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 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
CMGC MAPK1 MK01_HUMAN 4QTAA P28482 10 358 360.0 38Z:411 Type1.5_Front Inactive DFGin 6.9014 16.419 BLAminus -127.54, 173.07 71.53, 87.6 -104.51, 22.85 289.22, 73.36 -66.57, -25.44 in-in in 9.6271 Saltbr-in 2.6475 HRD-in -72.05, -50.52 77.72, -5.81 in-in-out SNCiio in-out ActLoopNT-in 2.7868 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 141.19 APE8-rot-out 186.7 APE67-dihe-in -78.23, -10.32 -106.34, 7.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.45 0.16 0.191 A 361.0 335.0 14 31 17 14 [[25, 313]] 1.0 4qta CMGC_MAPK1_HUMAN CMGC 9.2e-86 293.7 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK3 MK03_HUMAN 4QTBA P27361 24 374 379.0 38Z:418 Type1.5_Front Inactive DFGin 6.9632 16.1915 BLAminus -128.63, 172.06 72.12, 87.31 -104.64, 23.58 286.23, 74.76 -64.07, -28.14 in-in in 9.6383 Saltbr-in 2.6538 HRD-in -72.11, -54.76 73.09, 8.34 in-in-out SNCiio in-out ActLoopNT-in 2.7675 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -93.95, -29.12 APE9-dihe-na -67.78, 160.1 APE8-dihe-in -53.91, 125.98 APE8-rot-in 310.28 APE67-dihe-in -65.26, -17.27 -52.54, -50.1 APE12-dist-out 14.1554 APE11-dist-in 10.8041 APE10-dist-in 6.8428 APE9-dist-in 4.4119 None None None XRAY 1.4 0.148 0.175 A 380.0 351.0 0 31 31 0 [[42, 330]] 1.0 4qtb CMGC_MAPK3_HUMAN CMGC 3.2e-87 298.5 1.0 301.0 301.0 183 184 185 187 189 71 88 92 163 165 164 166.0 227 214 209 208 207 206 205 204 203 123 Mitogen-activated protein kinase 3
CMGC MAPK3 MK03_HUMAN 4QTBB P27361 27 374 379.0 38Z:412 Type1.5_Front Inactive DFGin 6.9886 16.0949 BLAminus -131.38, 169.9 76.01, 86.99 -105.18, 21.27 288.36, 77.86 -59.51, -32.2 in-in in 9.5939 Saltbr-in 2.7088 HRD-in -72.51, -53.5 77.51, 5.81 in-in-out SNCiio in-out ActLoopNT-in 2.8241 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -90.9, -27.9 APE9-dihe-na -67.55, 157.04 APE8-dihe-in -54.84, 126.95 APE8-rot-in 308.82 APE67-dihe-in -67.72, -16.58 -53.94, -47.75 APE12-dist-out 14.1875 APE11-dist-in 10.8583 APE10-dist-in 7.0815 APE9-dist-in 4.4109 None None None XRAY 1.4 0.148 0.175 B 380.0 348.0 0 31 31 0 [[42, 330]] 1.0 4qtb CMGC_MAPK3_HUMAN CMGC 3.2e-87 298.5 1.0 301.0 301.0 183 184 185 187 189 71 88 92 163 165 164 166.0 227 214 209 208 207 206 205 204 203 123 Mitogen-activated protein kinase 3
CMGC MAPK8 MK08_HUMAN 4QTDA P45983 6 363 427.0 38Z:424,ANP:425 Type1,Allosteric Inactive DFGin 4.2787 13.95 ABAminus -89.69, -21.2 -135.34, 171.77 -115.48, 9.24 298.02, 89.8 87.52, -156.74 in-out in 9.5926 Saltbr-out 4.1531 HRD-in -75.36, -55.62 72.51, -12.26 out-out-out SNCooo out-out ActLoopNT-out 6.6893 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -117.32, 137.81 APE9-dihe-na -80.42, 132.23 APE8-dihe-in -83.54, 120.1 APE8-rot-in 296.41 APE67-dihe-in -61.39, -20.52 -109.55, -3.05 APE12-dist-out 21.1401 APE11-dist-out 16.032 APE10-dist-out 16.5166 APE9-dist-out 11.1471 None None None XRAY 1.5 0.167 0.192 A 364.0 355.0 3 27 24 3 [[26, 321]] 1.0 4qtd CMGC_MAPK8_HUMAN CMGC 4.3e-84 288.2 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
OTHER HASPIN HASP_HUMAN 4QTCA Q8TF76 469 798 798.0 38Z:804 Type1 Active DFGin 4.7427 12.6972 BLAminus -128.25, 174.11 72.8, 94.29 -100.86, 22.55 311.48, 126.56 -49.88, -46.32 in-in in 9.2442 Saltbr-in 2.7674 HRD-naN -70.64, -49.71 73.49, 0.07 in-in-na SNCiia in-na ActLoopNT-in 2.8616 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -118.14, 15.58 APE9-dihe-na -74.4, 166.34 APE8-dihe-na -155.61, 167.98 APE8-rot-na 54.8 APE67-dihe-na -159.6, 141.49 96.89, -1.32 APE12-dist-na 9.3996 APE11-dist-na 13.2932 APE10-dist-na 16.8897 APE9-dist-na 13.1424 None None None XRAY 1.4 0.15 0.164 A 357.0 330.0 0 35 35 0 [[484, 797]] 1.0 4qtc OTHER_HASPIN_HUMAN HASP 1.4e-226 756.6 1.0 314.0 314.0 686 687 688 690 692 511 535 539 646 648 647 649.0 741 721 716 715 714 713 712 711 710 604 Serine/threonine-protein kinase haspin

Ligand: 38Z

Total number of chains: 7
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 85.7% 4QTBA
DFGin ABAminus 1 14.3% 4QTDA

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
CMGC MAPK1 MK01_HUMAN 4QTAA P28482 10 358 360.0 38Z:411 Type1.5_Front Inactive DFGin 6.9014 16.419 BLAminus -127.54, 173.07 71.53, 87.6 -104.51, 22.85 289.22, 73.36 -66.57, -25.44 in-in in 9.6271 Saltbr-in 2.6475 HRD-in -72.05, -50.52 77.72, -5.81 in-in-out SNCiio in-out ActLoopNT-in 2.7868 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 141.19 APE8-rot-out 186.7 APE67-dihe-in -78.23, -10.32 -106.34, 7.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 1.45 0.16 0.191 A 361.0 335.0 14 31 17 14 [[25, 313]] 1.0 4qta Homo sapiens CMGC_MAPK1_HUMAN CMGC 9.2e-86 293.7 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK3 MK03_HUMAN 4QTBA P27361 24 374 379.0 38Z:418 Type1.5_Front Inactive DFGin 6.9632 16.1915 BLAminus -128.63, 172.06 72.12, 87.31 -104.64, 23.58 286.23, 74.76 -64.07, -28.14 in-in in 9.6383 Saltbr-in 2.6538 HRD-in -72.11, -54.76 73.09, 8.34 in-in-out SNCiio in-out ActLoopNT-in 2.7675 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -93.95, -29.12 APE9-dihe-na -67.78, 160.1 APE8-dihe-in -53.91, 125.98 APE8-rot-in 310.28 APE67-dihe-in -65.26, -17.27 -52.54, -50.1 APE12-dist-out 14.1554 APE11-dist-in 10.8041 APE10-dist-in 6.8428 APE9-dist-in 4.4119 None None None XRAY 1.4 0.148 0.175 A 380.0 351.0 0 31 31 0 [[42, 330]] 1.0 4qtb Homo sapiens CMGC_MAPK3_HUMAN CMGC 3.2e-87 298.5 1.0 301.0 301.0 183 184 185 187 189 71 88 92 163 165 164 166.0 227 214 209 208 207 206 205 204 203 123 Mitogen-activated protein kinase 3
CMGC MAPK3 MK03_HUMAN 4QTBB P27361 27 374 379.0 38Z:412 Type1.5_Front Inactive DFGin 6.9886 16.0949 BLAminus -131.38, 169.9 76.01, 86.99 -105.18, 21.27 288.36, 77.86 -59.51, -32.2 in-in in 9.5939 Saltbr-in 2.7088 HRD-in -72.51, -53.5 77.51, 5.81 in-in-out SNCiio in-out ActLoopNT-in 2.8241 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -90.9, -27.9 APE9-dihe-na -67.55, 157.04 APE8-dihe-in -54.84, 126.95 APE8-rot-in 308.82 APE67-dihe-in -67.72, -16.58 -53.94, -47.75 APE12-dist-out 14.1875 APE11-dist-in 10.8583 APE10-dist-in 7.0815 APE9-dist-in 4.4109 None None None XRAY 1.4 0.148 0.175 B 380.0 348.0 0 31 31 0 [[42, 330]] 1.0 4qtb Homo sapiens CMGC_MAPK3_HUMAN CMGC 3.2e-87 298.5 1.0 301.0 301.0 183 184 185 187 189 71 88 92 163 165 164 166.0 227 214 209 208 207 206 205 204 203 123 Mitogen-activated protein kinase 3
CMGC MAPK8 MK08_HUMAN 4QTDA P45983 6 363 427.0 38Z:424,ANP:425 Type1,Allosteric Inactive DFGin 4.2787 13.95 ABAminus -89.69, -21.2 -135.34, 171.77 -115.48, 9.24 298.02, 89.8 87.52, -156.74 in-out in 9.5926 Saltbr-out 4.1531 HRD-in -75.36, -55.62 72.51, -12.26 out-out-out SNCooo out-out ActLoopNT-out 6.6893 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -117.32, 137.81 APE9-dihe-na -80.42, 132.23 APE8-dihe-in -83.54, 120.1 APE8-rot-in 296.41 APE67-dihe-in -61.39, -20.52 -109.55, -3.05 APE12-dist-out 21.1401 APE11-dist-out 16.032 APE10-dist-out 16.5166 APE9-dist-out 11.1471 None None None XRAY 1.5 0.167 0.192 A 364.0 355.0 3 27 24 3 [[26, 321]] 1.0 4qtd Homo sapiens CMGC_MAPK8_HUMAN CMGC 4.3e-84 288.2 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
OTHER HASPIN HASP_HUMAN 4QTCA Q8TF76 469 798 798.0 38Z:804 Type1 Active DFGin 4.7427 12.6972 BLAminus -128.25, 174.11 72.8, 94.29 -100.86, 22.55 311.48, 126.56 -49.88, -46.32 in-in in 9.2442 Saltbr-in 2.7674 HRD-naN -70.64, -49.71 73.49, 0.07 in-in-na SNCiia in-na ActLoopNT-in 2.8616 ActLoopCT-na noAPE APEdihe_aaaaa APEdist_aaaa APE10-dihe-na -118.14, 15.58 APE9-dihe-na -74.4, 166.34 APE8-dihe-na -155.61, 167.98 APE8-rot-na 54.8 APE67-dihe-na -159.6, 141.49 96.89, -1.32 APE12-dist-na 9.3996 APE11-dist-na 13.2932 APE10-dist-na 16.8897 APE9-dist-na 13.1424 None None None XRAY 1.4 0.15 0.164 A 357.0 330.0 0 35 35 0 [[484, 797]] 1.0 4qtc Homo sapiens OTHER_HASPIN_HUMAN HASP 1.4e-226 756.6 1.0 314.0 314.0 686 687 688 690 692 511 535 539 646 648 647 649.0 741 721 716 715 714 713 712 711 710 604 Serine/threonine-protein kinase haspin
CMGC MAPK1 MK01_RAT 5HD7A P63086 9 355 358.0 38Z:401 Type1 Inactive DFGin 6.6169 16.3974 BLAminus -128.09, 178.37 68.56, 85.26 -107.06, 21.62 285.69, 78.69 -70.28, -12.54 in-in in 9.5452 Saltbr-in 2.6662 HRD-in -71.35, -50.28 70.7, 8.65 in-in-out SNCiio in-out ActLoopNT-in 2.7976 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -98.73, -37.18 APE9-dihe-na -62.95, 158.16 APE8-dihe-in -50.32, 124.93 APE8-rot-in 314.5 APE67-dihe-in -63.38, -19.4 -51.82, -51.63 APE12-dist-out 14.404 APE11-dist-in 11.122 APE10-dist-in 7.2822 APE9-dist-in 4.4034 G167D None None XRAY 1.69 0.182 0.207 A 365.0 347.0 0 31 31 0 [[23, 311]] 1.0 5hd7 Rattus norvegicus CMGC_MAPK1_RAT CMGC 8e-84 287.3 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_RAT 5HD4A P63086 9 355 358.0 38Z:401 Type1.5_Front Inactive DFGin 6.7617 16.3963 BLAminus -132.15, 171.71 72.04, 89.95 -105.49, 25.28 288.89, 74.15 -62.94, -29.6 in-in in 9.6091 Saltbr-in 2.6511 HRD-in -73.9, -52.49 73.6, 6.76 in-in-out SNCiio in-out ActLoopNT-in 2.7885 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -96.81, -40.96 APE9-dihe-na -60.91, 155.22 APE8-dihe-in -46.4, 120.98 APE8-rot-in 315.89 APE67-dihe-in -62.79, -18.63 -49.8, -50.9 APE12-dist-out 14.32 APE11-dist-in 11.0677 APE10-dist-in 7.1595 APE9-dist-in 4.4363 None None None XRAY 1.45 0.177 0.199 A 365.0 347.0 0 31 31 0 [[23, 311]] 1.0 5hd4 Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.4e-85 293.1 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1

Ligand: 38Z

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% 5HD4A

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
CMGC MAPK1 MK01_RAT 5HD7A P63086 9 355 358.0 38Z:401 Type1 Inactive DFGin 6.6169 16.3974 BLAminus -128.09, 178.37 68.56, 85.26 -107.06, 21.62 285.69, 78.69 -70.28, -12.54 in-in in 9.5452 Saltbr-in 2.6662 HRD-in -71.35, -50.28 70.7, 8.65 in-in-out SNCiio in-out ActLoopNT-in 2.7976 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -98.73, -37.18 APE9-dihe-na -62.95, 158.16 APE8-dihe-in -50.32, 124.93 APE8-rot-in 314.5 APE67-dihe-in -63.38, -19.4 -51.82, -51.63 APE12-dist-out 14.404 APE11-dist-in 11.122 APE10-dist-in 7.2822 APE9-dist-in 4.4034 G167D None None XRAY 1.69 0.182 0.207 A 365.0 347.0 0 31 31 0 [[23, 311]] 1.0 5hd7 Rattus norvegicus CMGC_MAPK1_RAT CMGC 8e-84 287.3 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_RAT 5HD4A P63086 9 355 358.0 38Z:401 Type1.5_Front Inactive DFGin 6.7617 16.3963 BLAminus -132.15, 171.71 72.04, 89.95 -105.49, 25.28 288.89, 74.15 -62.94, -29.6 in-in in 9.6091 Saltbr-in 2.6511 HRD-in -73.9, -52.49 73.6, 6.76 in-in-out SNCiio in-out ActLoopNT-in 2.7885 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -96.81, -40.96 APE9-dihe-na -60.91, 155.22 APE8-dihe-in -46.4, 120.98 APE8-rot-in 315.89 APE67-dihe-in -62.79, -18.63 -49.8, -50.9 APE12-dist-out 14.32 APE11-dist-in 11.0677 APE10-dist-in 7.1595 APE9-dist-in 4.4363 None None None XRAY 1.45 0.177 0.199 A 365.0 347.0 0 31 31 0 [[23, 311]] 1.0 5hd4 Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.4e-85 293.1 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1