Ligand: DKI

Total number of chains: 9
Active chains: 3
Total number of genes: 8
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 55.6% 2CHLA
DFGinter None 2 22.2% 3HMIA
DFGin BLBminus 1 11.1% 4AAAA
None None 1 11.1% 2W4OA
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 CAMK4 KCC4_HUMAN 2W4OA Q16566 34 337 473.0 DKI:1338 Type1 Inactive None 999.0 999.0 None -105.26, 174.45 73.67, 2.86 -24.08, 999.0 999.0, 999.0 999.0, 999.0 none-none none 999.0 Saltbr-none 999.0 HRD-in -71.0, -50.24 71.4, -6.92 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -43.31 APE8-dihe-in -126.65, 64.25 APE8-rot-out 52.05 APE67-dihe-in -68.6, -13.19 -64.59, -15.06 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.316 None None None XRAY 2.17 0.216 0.237 A 349 278 26 0 0 16 [[46, 300]] 1.0 2w4o CAMK_CAMK4_HUMAN CAMK 4.7e-90 307.9 1 256 256 184 185 186 188 190 75 89 93 161 163 162 164 223 211 206 205 204 203 202 201 200 119 Calcium/calmodulin-dependent protein kinase type IV
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA Q9Y6M4 36 333 447.0 DKI:1323 Type1 Active DFGin 6.785 14.867 BLAminus -136.84, 158.31 74.66, 86.81 -100.32, 20.09 287.86, 83.77 -60.52, -36.0 in-in in 8.055 Saltbr-in 2.637 HRD-in -91.95, -55.12 67.4, 14.78 in-in-in SNCiii in-in ActLoopNT-in 2.741 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.4, 127.92 APE9-dihe-na 114.15, -167.79 APE8-dihe-in -90.4, 133.75 APE8-rot-in 309.61 APE67-dihe-in -62.38, -36.28 -53.99, -41.83 APE12-dist-in 11.79 APE11-dist-in 11.599 APE10-dist-in 6.031 APE9-dist-in 3.5 None None None XRAY 1.95 0.186 0.234 A 351 298 0 0 0 0 [[43, 310]] 1.0 2chl CK1_CSNK1G3_HUMAN CK1 3e-115 390.1 1 261 261 184 185 186 188 190 72 86 90 159 161 160 162 231 219 214 213 212 211 210 209 208 117 Casein kinase I isoform gamma-3
CMGC CDKL2 CDKL2_HUMAN 4AAAA Q92772 1 302 493.0 DKI:60500 Type1 Inactive DFGin 9.818 16.562 BLBminus -155.51, 174.54 62.34, 44.23 -57.57, 144.91 282.77, 68.32 -67.57, 25.01 out-none out 12.643 Saltbr-none 999.0 HRD-in -76.44, -55.33 82.36, -14.07 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -93.2, 21.78 APE9-dihe-na -63.46, 142.18 APE8-dihe-in -70.26, 133.25 APE8-rot-in 305.07 APE67-dihe-in -60.17, -26.15 -101.44, 1.52 APE12-dist-none 999.0 APE11-dist-out 16.052 APE10-dist-out 20.032 APE9-dist-out 10.595 T159D,Y161E None None XRAY 1.53 0.182 0.208 A 331 290 12 0 0 12 [[4, 287]] 1.0 4aaa CMGC_CDKL2_HUMAN CMGC 2.2e-79 272.8 1 301 301 143 144 145 147 149 33 51 55 123 125 124 126 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase-like 2
CMGC CLK3 CLK3_HUMAN 2WU6A P49761 134 483 490.0 DKI:1484 Type1 Active DFGin 7.776 14.965 BLAminus -116.93, 179.15 62.45, 72.51 -89.63, 16.68 295.06, 87.4 -62.0, -34.07 in-in in 8.813 Saltbr-in 2.801 HRD-in -68.44, -54.58 75.53, -12.92 in-in-in SNCiii in-in ActLoopNT-in 2.825 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.93, 172.91 APE9-dihe-na 77.89, 155.84 APE8-dihe-in -77.47, 138.03 APE8-rot-in 290.67 APE67-dihe-in -61.22, -21.77 -44.41, -49.37 APE12-dist-in 13.725 APE11-dist-in 11.724 APE10-dist-in 7.334 APE9-dist-in 3.007 None None None XRAY 1.92 0.172 0.211 A 381 350 1 0 0 0 [[156, 472]] 1.0 2wu6 CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
STE SLK SLK_HUMAN 2J51A Q9H2G2 21 308 1235.0 DKI:1314 Type1 Inactive DFGin 6.523 14.829 BLAminus -130.32, -176.18 60.33, 78.02 -96.46, 29.37 298.21, 93.29 -66.33, -25.13 in-out in 9.334 Saltbr-out 4.065 HRD-in -63.84, -54.01 78.76, -8.07 out-in-out SNCoio in-out ActLoopNT-in 2.81 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -122.41, 160.73 APE9-dihe-na 70.8, 172.83 APE8-dihe-in -83.92, 118.66 APE8-rot-in 311.16 APE67-dihe-out -60.04, -26.26 -91.46, 69.72 APE12-dist-out 25.491 APE11-dist-out 29.63 APE10-dist-out 33.299 APE9-dist-out 38.391 None None None XRAY 2.1 0.202 0.233 A 325 288 0 0 0 0 [[34, 292]] 1.0 2j51 STE_SLK_HUMAN STE 1.1e-96 329.1 1 257 257 172 173 174 176 178 63 79 83 152 154 153 155 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE SLK SLK_HUMAN 2JFLA Q9H2G2 21 308 1235.0 DKI:1309 Type1 Inactive DFGin 6.548 14.941 BLAminus -134.74, -178.0 59.5, 81.29 -99.1, 26.08 298.0, 90.14 -61.58, -25.76 in-out in 9.462 Saltbr-out 4.372 HRD-in -63.48, -53.98 76.6, -2.17 out-in-out SNCoio in-out ActLoopNT-in 2.811 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -134.72, 146.95 APE9-dihe-na 74.36, 175.84 APE8-dihe-in -85.0, 123.29 APE8-rot-in 314.87 APE67-dihe-out -59.55, -27.06 -91.86, 66.94 APE12-dist-out 25.84 APE11-dist-out 30.003 APE10-dist-out 33.518 APE9-dist-out 38.757 None TPO183,SEP189 TPO183,SEP189 XRAY 2.2 0.205 0.242 A 325 288 0 0 0 0 [[34, 292]] 1.0 2jfl STE_SLK_HUMAN STE 1.1e-96 329.1 1 257 257 172 173 174 176 178 63 79 83 152 154 153 155 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE STK24 STK24_HUMAN 4QMPA Q9Y6E0 18 310 443.0 DKI:60402 Type1 Active DFGin 6.289 14.956 BLAminus -138.55, 169.56 58.43, 76.67 -89.83, 22.61 277.06, 84.2 -60.11, -26.02 in-in in 8.841 Saltbr-in 2.523 HRD-in -77.4, -47.24 69.58, 0.16 in-in-in SNCiii in-in ActLoopNT-in 2.736 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.58, 153.54 APE9-dihe-na 138.55, -170.91 APE8-dihe-in -108.57, 123.68 APE8-rot-in 308.48 APE67-dihe-in -59.49, -23.86 -40.77, -54.45 APE12-dist-in 8.654 APE11-dist-in 10.944 APE10-dist-in 5.152 APE9-dist-in 3.394 None TPO190 TPO190 XRAY 2.0 0.177 0.228 A 310 290 0 0 0 0 [[36, 286]] 1.0 4qmp STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK26 STK26_HUMAN 4FZFB Q9P289 18 297 416.0 DKI:60301 Type1 Inactive DFGinter 9.133 5.046 None -57.65, 114.3 -69.67, -9.9 -61.28, -25.81 270.87, 114.11 -63.61, -36.75 out-out out 10.29 Saltbr-out 4.539 HRD-in -96.17, -41.99 66.86, 3.24 out-out-out SNCooo out-out ActLoopNT-out 5.19 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -97.12, 126.65 APE9-dihe-na -67.92, -45.65 APE8-dihe-in -99.44, 130.82 APE8-rot-out 45.3 APE67-dihe-in -58.16, -40.48 -83.63, -4.41 APE12-dist-in 10.491 APE11-dist-in 13.842 APE10-dist-out 12.302 APE9-dist-out 9.632 D162A None None XRAY 3.64 0.255 0.309 B 283 278 2 0 0 0 [[24, 274]] 1.0 4fzf STE_STK26_HUMAN STE 6.8e-99 336.3 1 257 257 161 162 163 165 167 53 70 74 141 143 142 144 201 189 184 183 182 181 180 179 178 100 Serine/threonine-protein kinase 26
TYR ABL2 ABL2_HUMAN 3HMIA P42684 279 546 1182.0 DKI:1 Type1 Inactive DFGinter 9.164 4.826 None -59.51, 142.63 -137.26, 25.26 -75.0, 160.51 298.16, 114.52 70.44, 20.34 in-in in 8.257 Saltbr-in 2.503 HRD-in -92.76, -51.88 76.23, -2.59 in-out-in SNCioi out-in ActLoopNT-out 5.787 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -106.13, 129.9 APE9-dihe-in -117.54, 160.6 APE8-dihe-in -76.74, 91.54 APE8-rot-na 26.07 APE67-dihe-in -69.21, -5.26 -46.03, -53.32 APE12-dist-na 19.205 APE11-dist-na 14.374 APE10-dist-na 16.846 APE9-dist-in 6.851 None None None XRAY 1.65 0.19 0.234 A 292 268 0 0 0 0 [[288, 541]] 1.0 3hmi TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1 260 260 426 427 428 430 432 317 332 336 406 408 407 409 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2

Ligand: DKI

Total number of chains: 11
Active chains: 3
Total number of genes: 9
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 63.6% 2CHLA
DFGinter None 2 18.2% 3HMIA
DFGin BLBminus 1 9.1% 4AAAA
None None 1 9.1% 2W4OA
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
CAMK CAMK4 KCC4_HUMAN 2W4OA Q16566 34 337 473.0 DKI:1338 Type1 Inactive None 999.0 999.0 None -105.26, 174.45 73.67, 2.86 -24.08, 999.0 999.0, 999.0 999.0, 999.0 none-none none 999.0 Saltbr-none 999.0 HRD-in -71.0, -50.24 71.4, -6.92 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -43.31 APE8-dihe-in -126.65, 64.25 APE8-rot-out 52.05 APE67-dihe-in -68.6, -13.19 -64.59, -15.06 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.316 None None None XRAY 2.17 0.216 0.237 A 349 278 26 0 0 16 [[46, 300]] 1.0 2w4o Homo sapiens CAMK_CAMK4_HUMAN CAMK 4.7e-90 307.9 1 256 256 184 185 186 188 190 75 89 93 161 163 162 164 223 211 206 205 204 203 202 201 200 119 Calcium/calmodulin-dependent protein kinase type IV
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA Q9Y6M4 36 333 447.0 DKI:1323 Type1 Active DFGin 6.785 14.867 BLAminus -136.84, 158.31 74.66, 86.81 -100.32, 20.09 287.86, 83.77 -60.52, -36.0 in-in in 8.055 Saltbr-in 2.637 HRD-in -91.95, -55.12 67.4, 14.78 in-in-in SNCiii in-in ActLoopNT-in 2.741 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.4, 127.92 APE9-dihe-na 114.15, -167.79 APE8-dihe-in -90.4, 133.75 APE8-rot-in 309.61 APE67-dihe-in -62.38, -36.28 -53.99, -41.83 APE12-dist-in 11.79 APE11-dist-in 11.599 APE10-dist-in 6.031 APE9-dist-in 3.5 None None None XRAY 1.95 0.186 0.234 A 351 298 0 0 0 0 [[43, 310]] 1.0 2chl Homo sapiens CK1_CSNK1G3_HUMAN CK1 3e-115 390.1 1 261 261 184 185 186 188 190 72 86 90 159 161 160 162 231 219 214 213 212 211 210 209 208 117 Casein kinase I isoform gamma-3
CMGC CDKL2 CDKL2_HUMAN 4AAAA Q92772 1 302 493.0 DKI:60500 Type1 Inactive DFGin 9.818 16.562 BLBminus -155.51, 174.54 62.34, 44.23 -57.57, 144.91 282.77, 68.32 -67.57, 25.01 out-none out 12.643 Saltbr-none 999.0 HRD-in -76.44, -55.33 82.36, -14.07 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -93.2, 21.78 APE9-dihe-na -63.46, 142.18 APE8-dihe-in -70.26, 133.25 APE8-rot-in 305.07 APE67-dihe-in -60.17, -26.15 -101.44, 1.52 APE12-dist-none 999.0 APE11-dist-out 16.052 APE10-dist-out 20.032 APE9-dist-out 10.595 T159D,Y161E None None XRAY 1.53 0.182 0.208 A 331 290 12 0 0 12 [[4, 287]] 1.0 4aaa Homo sapiens CMGC_CDKL2_HUMAN CMGC 2.2e-79 272.8 1 301 301 143 144 145 147 149 33 51 55 123 125 124 126 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase-like 2
CMGC CLK3 CLK3_HUMAN 2WU6A P49761 134 483 490.0 DKI:1484 Type1 Active DFGin 7.776 14.965 BLAminus -116.93, 179.15 62.45, 72.51 -89.63, 16.68 295.06, 87.4 -62.0, -34.07 in-in in 8.813 Saltbr-in 2.801 HRD-in -68.44, -54.58 75.53, -12.92 in-in-in SNCiii in-in ActLoopNT-in 2.825 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.93, 172.91 APE9-dihe-na 77.89, 155.84 APE8-dihe-in -77.47, 138.03 APE8-rot-in 290.67 APE67-dihe-in -61.22, -21.77 -44.41, -49.37 APE12-dist-in 13.725 APE11-dist-in 11.724 APE10-dist-in 7.334 APE9-dist-in 3.007 None None None XRAY 1.92 0.172 0.211 A 381 350 1 0 0 0 [[156, 472]] 1.0 2wu6 Homo sapiens CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
STE SLK SLK_HUMAN 2J51A Q9H2G2 21 308 1235.0 DKI:1314 Type1 Inactive DFGin 6.523 14.829 BLAminus -130.32, -176.18 60.33, 78.02 -96.46, 29.37 298.21, 93.29 -66.33, -25.13 in-out in 9.334 Saltbr-out 4.065 HRD-in -63.84, -54.01 78.76, -8.07 out-in-out SNCoio in-out ActLoopNT-in 2.81 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -122.41, 160.73 APE9-dihe-na 70.8, 172.83 APE8-dihe-in -83.92, 118.66 APE8-rot-in 311.16 APE67-dihe-out -60.04, -26.26 -91.46, 69.72 APE12-dist-out 25.491 APE11-dist-out 29.63 APE10-dist-out 33.299 APE9-dist-out 38.391 None None None XRAY 2.1 0.202 0.233 A 325 288 0 0 0 0 [[34, 292]] 1.0 2j51 Homo sapiens STE_SLK_HUMAN STE 1.1e-96 329.1 1 257 257 172 173 174 176 178 63 79 83 152 154 153 155 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE SLK SLK_HUMAN 2JFLA Q9H2G2 21 308 1235.0 DKI:1309 Type1 Inactive DFGin 6.548 14.941 BLAminus -134.74, -178.0 59.5, 81.29 -99.1, 26.08 298.0, 90.14 -61.58, -25.76 in-out in 9.462 Saltbr-out 4.372 HRD-in -63.48, -53.98 76.6, -2.17 out-in-out SNCoio in-out ActLoopNT-in 2.811 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -134.72, 146.95 APE9-dihe-na 74.36, 175.84 APE8-dihe-in -85.0, 123.29 APE8-rot-in 314.87 APE67-dihe-out -59.55, -27.06 -91.86, 66.94 APE12-dist-out 25.84 APE11-dist-out 30.003 APE10-dist-out 33.518 APE9-dist-out 38.757 None TPO183,SEP189 TPO183,SEP189 XRAY 2.2 0.205 0.242 A 325 288 0 0 0 0 [[34, 292]] 1.0 2jfl Homo sapiens STE_SLK_HUMAN STE 1.1e-96 329.1 1 257 257 172 173 174 176 178 63 79 83 152 154 153 155 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE STK24 STK24_HUMAN 4QMPA Q9Y6E0 18 310 443.0 DKI:60402 Type1 Active DFGin 6.289 14.956 BLAminus -138.55, 169.56 58.43, 76.67 -89.83, 22.61 277.06, 84.2 -60.11, -26.02 in-in in 8.841 Saltbr-in 2.523 HRD-in -77.4, -47.24 69.58, 0.16 in-in-in SNCiii in-in ActLoopNT-in 2.736 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.58, 153.54 APE9-dihe-na 138.55, -170.91 APE8-dihe-in -108.57, 123.68 APE8-rot-in 308.48 APE67-dihe-in -59.49, -23.86 -40.77, -54.45 APE12-dist-in 8.654 APE11-dist-in 10.944 APE10-dist-in 5.152 APE9-dist-in 3.394 None TPO190 TPO190 XRAY 2.0 0.177 0.228 A 310 290 0 0 0 0 [[36, 286]] 1.0 4qmp Homo sapiens STE_STK24_HUMAN STE 3.9e-100 340.4 1 257 257 173 174 175 177 179 65 82 86 153 155 154 156 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK26 STK26_HUMAN 4FZFB Q9P289 18 297 416.0 DKI:60301 Type1 Inactive DFGinter 9.133 5.046 None -57.65, 114.3 -69.67, -9.9 -61.28, -25.81 270.87, 114.11 -63.61, -36.75 out-out out 10.29 Saltbr-out 4.539 HRD-in -96.17, -41.99 66.86, 3.24 out-out-out SNCooo out-out ActLoopNT-out 5.19 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -97.12, 126.65 APE9-dihe-na -67.92, -45.65 APE8-dihe-in -99.44, 130.82 APE8-rot-out 45.3 APE67-dihe-in -58.16, -40.48 -83.63, -4.41 APE12-dist-in 10.491 APE11-dist-in 13.842 APE10-dist-out 12.302 APE9-dist-out 9.632 D162A None None XRAY 3.64 0.255 0.309 B 283 278 2 0 0 0 [[24, 274]] 1.0 4fzf Homo sapiens STE_STK26_HUMAN STE 6.8e-99 336.3 1 257 257 161 162 163 165 167 53 70 74 141 143 142 144 201 189 184 183 182 181 180 179 178 100 Serine/threonine-protein kinase 26
TYR ABL2 ABL2_HUMAN 3HMIA P42684 279 546 1182.0 DKI:1 Type1 Inactive DFGinter 9.164 4.826 None -59.51, 142.63 -137.26, 25.26 -75.0, 160.51 298.16, 114.52 70.44, 20.34 in-in in 8.257 Saltbr-in 2.503 HRD-in -92.76, -51.88 76.23, -2.59 in-out-in SNCioi out-in ActLoopNT-out 5.787 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -106.13, 129.9 APE9-dihe-in -117.54, 160.6 APE8-dihe-in -76.74, 91.54 APE8-rot-na 26.07 APE67-dihe-in -69.21, -5.26 -46.03, -53.32 APE12-dist-na 19.205 APE11-dist-na 14.374 APE10-dist-na 16.846 APE9-dist-in 6.851 None None None XRAY 1.65 0.19 0.234 A 292 268 0 0 0 0 [[288, 541]] 1.0 3hmi Homo sapiens TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1 260 260 426 427 428 430 432 317 332 336 406 408 407 409 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
OTHER IRE1 IRE1_YEAST 3LJ1A P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.549 14.198 BLAminus -134.05, -172.29 64.43, 86.72 -105.73, 31.33 281.55, 58.87 -71.4, -43.5 in-in in 9.069 Saltbr-in 2.771 HRD-in -75.98, -46.34 75.54, -5.83 in-in-none SNCiin in-none ActLoopNT-in 2.858 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -47.95 APE8-rot-none 999.0 APE67-dihe-in -76.17, -21.3 -105.55, 30.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None SEP840,SEP841,TPO844 SEP840,SEP841,TPO844 XRAY 3.33 0.264 0.284 A 434 407 20 0 0 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4 263 260 827 828 829 831 833 702 715 719 794 796 795 797 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER IRE1 IRE1_YEAST 3LJ1B P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.566 14.194 BLAminus -134.95, -174.09 65.23, 87.06 -105.31, 31.78 281.4, 59.08 -71.99, -43.07 in-in in 9.066 Saltbr-in 2.849 HRD-in -76.02, -48.57 76.62, -4.7 in-in-none SNCiin in-none ActLoopNT-in 2.883 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -48.69 APE8-rot-none 999.0 APE67-dihe-in -76.4, -21.31 -105.99, 30.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None SEP840,SEP841,TPO844 SEP840,SEP841,TPO844 XRAY 3.33 0.264 0.284 B 434 407 20 0 0 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4 263 260 827 828 829 831 833 702 715 719 794 796 795 797 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1

Ligand: DKI

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% 3LJ1A
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
OTHER IRE1 IRE1_YEAST 3LJ1A P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.549 14.198 BLAminus -134.05, -172.29 64.43, 86.72 -105.73, 31.33 281.55, 58.87 -71.4, -43.5 in-in in 9.069 Saltbr-in 2.771 HRD-in -75.98, -46.34 75.54, -5.83 in-in-none SNCiin in-none ActLoopNT-in 2.858 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -47.95 APE8-rot-none 999.0 APE67-dihe-in -76.17, -21.3 -105.55, 30.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None SEP840,SEP841,TPO844 SEP840,SEP841,TPO844 XRAY 3.33 0.264 0.284 A 434 407 20 0 0 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4 263 260 827 828 829 831 833 702 715 719 794 796 795 797 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER IRE1 IRE1_YEAST 3LJ1B P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.566 14.194 BLAminus -134.95, -174.09 65.23, 87.06 -105.31, 31.78 281.4, 59.08 -71.99, -43.07 in-in in 9.066 Saltbr-in 2.849 HRD-in -76.02, -48.57 76.62, -4.7 in-in-none SNCiin in-none ActLoopNT-in 2.883 ActLoopCT-none nonTYR APEdihe_aanni APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -48.69 APE8-rot-none 999.0 APE67-dihe-in -76.4, -21.31 -105.99, 30.68 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None SEP840,SEP841,TPO844 SEP840,SEP841,TPO844 XRAY 3.33 0.264 0.284 B 434 407 20 0 0 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4 263 260 827 828 829 831 833 702 715 719 794 796 795 797 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1