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
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
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 10.3159 None None None XRAY 2.17 0.216 0.237 A 349.0 278.0 26 27 11 16 [[46, 300]] 1.0 2w4o CAMK_CAMK4_HUMAN CAMK 4.7e-90 307.9 1.0 256.0 256.0 184 185 186 188 190 75 89 93 161 163 162 164.0 223 211 206 205 204 203 202 201 200 119 Calcium/calmodulin-dependent protein kinase type IV
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA Q9Y6M4 36 333 447.0 DKI:1323 Type1 Active DFGin 6.7853 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 8.0552 Saltbr-in 2.6371 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 11.7895 APE11-dist-in 11.5991 APE10-dist-in 6.031 APE9-dist-in 3.5004 None None None XRAY 1.95 0.186 0.234 A 351.0 298.0 0 35 35 0 [[43, 310]] 1.0 2chl CK1_CSNK1G3_HUMAN CK1 3e-115 390.1 1.0 261.0 261.0 184 185 186 188 190 72 86 90 159 161 160 162.0 231 219 214 213 212 211 210 209 208 117 Casein kinase I isoform gamma-3
CMGC CDKL2 CDKL2_HUMAN 4AAAA Q92772 1 302 493.0 DKI:60500 Type1 Inactive DFGin 9.8175 16.5623 BLBminus -155.51, 174.54 62.34, 44.23 -57.57, 144.91 282.77, 68.32 -67.57, 25.01 out-none out 12.6425 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 16.0519 APE10-dist-out 20.0315 APE9-dist-out 10.5947 T159D,Y161E None None XRAY 1.53 0.182 0.208 A 331.0 290.0 12 28 16 12 [[4, 287]] 1.0 4aaa CMGC_CDKL2_HUMAN CMGC 2.2e-79 272.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase-like 2
CMGC CLK3 CLK3_HUMAN 2WU6A P49761 134 483 490.0 DKI:1484 Type1 Active DFGin 7.7757 14.9646 BLAminus -116.93, 179.15 62.45, 72.51 -89.63, 16.68 295.06, 87.4 -62.0, -34.07 in-in in 8.8131 Saltbr-in 2.8012 HRD-in -68.44, -54.58 75.53, -12.92 in-in-in SNCiii in-in ActLoopNT-in 2.8252 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 13.7246 APE11-dist-in 11.7243 APE10-dist-in 7.3343 APE9-dist-in 3.0073 None None None XRAY 1.92 0.172 0.211 A 381.0 350.0 1 25 25 0 [[156, 472]] 1.0 2wu6 CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
STE SLK SLK_HUMAN 2J51A Q9H2G2 21 308 1235.0 DKI:1314 Type1 Inactive DFGin 6.5233 14.8292 BLAminus -130.32, -176.18 60.33, 78.02 -96.46, 29.37 298.21, 93.29 -66.33, -25.13 in-out in 9.3343 Saltbr-out 4.065 HRD-in -63.84, -54.01 78.76, -8.07 out-in-out SNCoio in-out ActLoopNT-in 2.8097 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 25.4912 APE11-dist-out 29.6303 APE10-dist-out 33.2987 APE9-dist-out 38.3911 None None None XRAY 2.1 0.202 0.233 A 325.0 288.0 0 28 28 0 [[34, 292]] 1.0 2j51 STE_SLK_HUMAN STE 1.1e-96 329.1 1.0 257.0 257.0 172 173 174 176 178 63 79 83 152 154 153 155.0 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE SLK SLK_HUMAN 2JFLA Q9H2G2 21 308 1235.0 DKI:1309 Type1 Inactive DFGin 6.5483 14.9408 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 4.3715 HRD-in -63.48, -53.98 76.6, -2.17 out-in-out SNCoio in-out ActLoopNT-in 2.8113 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 25.8401 APE11-dist-out 30.0028 APE10-dist-out 33.5178 APE9-dist-out 38.7571 None TPO183,SEP189 TPO183,SEP189 XRAY 2.2 0.205 0.242 A 325.0 288.0 0 28 28 0 [[34, 292]] 1.0 2jfl STE_SLK_HUMAN STE 1.1e-96 329.1 1.0 257.0 257.0 172 173 174 176 178 63 79 83 152 154 153 155.0 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE STK24 STK24_HUMAN 4QMPA Q9Y6E0 18 310 443.0 DKI:60402 Type1 Active DFGin 6.2893 14.9557 BLAminus -138.55, 169.56 58.43, 76.67 -89.83, 22.61 277.06, 84.2 -60.11, -26.02 in-in in 8.8412 Saltbr-in 2.5231 HRD-in -77.4, -47.24 69.58, 0.16 in-in-in SNCiii in-in ActLoopNT-in 2.7364 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 8.6538 APE11-dist-in 10.9445 APE10-dist-in 5.1519 APE9-dist-in 3.3938 None TPO190 TPO190 XRAY 2.0 0.177 0.228 A 310.0 290.0 0 28 28 0 [[36, 286]] 1.0 4qmp STE_STK24_HUMAN STE 3.9e-100 340.4 1.0 257.0 257.0 173 174 175 177 179 65 82 86 153 155 154 156.0 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK26 STK26_HUMAN 4FZFB Q9P289 18 297 416.0 DKI:60301 Type1 Inactive DFGinter 9.133 5.0462 None -57.65, 114.3 -69.67, -9.9 -61.28, -25.81 270.87, 114.11 -63.61, -36.75 out-out out 10.2896 Saltbr-out 4.5391 HRD-in -96.17, -41.99 66.86, 3.24 out-out-out SNCooo out-out ActLoopNT-out 5.1898 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 13.8421 APE10-dist-out 12.3021 APE9-dist-out 9.6321 D162A None None XRAY 3.64 0.255 0.309 B 283.0 278.0 2 28 28 0 [[24, 274]] 1.0 4fzf STE_STK26_HUMAN STE 6.8e-99 336.3 1.0 257.0 257.0 161 162 163 165 167 53 70 74 141 143 142 144.0 201 189 184 183 182 181 180 179 178 100 Serine/threonine-protein kinase 26
TYR ABL2 ABL2_HUMAN 3HMIA P42684 279 546 1182.0 DKI:1 Type1 Inactive DFGinter 9.1638 4.8262 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 5.7875 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 19.2053 APE11-dist-na 14.3737 APE10-dist-na 16.8455 APE9-dist-in 6.8515 None None None XRAY 1.65 0.19 0.234 A 292.0 268.0 0 29 29 0 [[288, 541]] 1.0 3hmi TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 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
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
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 10.3159 None None None XRAY 2.17 0.216 0.237 A 349.0 278.0 26 27 11 16 [[46, 300]] 1.0 2w4o Homo sapiens CAMK_CAMK4_HUMAN CAMK 4.7e-90 307.9 1.0 256.0 256.0 184 185 186 188 190 75 89 93 161 163 162 164.0 223 211 206 205 204 203 202 201 200 119 Calcium/calmodulin-dependent protein kinase type IV
CK1 CSNK1G3 KC1G3_HUMAN 2CHLA Q9Y6M4 36 333 447.0 DKI:1323 Type1 Active DFGin 6.7853 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 8.0552 Saltbr-in 2.6371 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 11.7895 APE11-dist-in 11.5991 APE10-dist-in 6.031 APE9-dist-in 3.5004 None None None XRAY 1.95 0.186 0.234 A 351.0 298.0 0 35 35 0 [[43, 310]] 1.0 2chl Homo sapiens CK1_CSNK1G3_HUMAN CK1 3e-115 390.1 1.0 261.0 261.0 184 185 186 188 190 72 86 90 159 161 160 162.0 231 219 214 213 212 211 210 209 208 117 Casein kinase I isoform gamma-3
CMGC CDKL2 CDKL2_HUMAN 4AAAA Q92772 1 302 493.0 DKI:60500 Type1 Inactive DFGin 9.8175 16.5623 BLBminus -155.51, 174.54 62.34, 44.23 -57.57, 144.91 282.77, 68.32 -67.57, 25.01 out-none out 12.6425 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 16.0519 APE10-dist-out 20.0315 APE9-dist-out 10.5947 T159D,Y161E None None XRAY 1.53 0.182 0.208 A 331.0 290.0 12 28 16 12 [[4, 287]] 1.0 4aaa Homo sapiens CMGC_CDKL2_HUMAN CMGC 2.2e-79 272.8 1.0 301.0 301.0 143 144 145 147 149 33 51 55 123 125 124 126.0 184 171 166 165 164 163 162 161 160 81 Cyclin-dependent kinase-like 2
CMGC CLK3 CLK3_HUMAN 2WU6A P49761 134 483 490.0 DKI:1484 Type1 Active DFGin 7.7757 14.9646 BLAminus -116.93, 179.15 62.45, 72.51 -89.63, 16.68 295.06, 87.4 -62.0, -34.07 in-in in 8.8131 Saltbr-in 2.8012 HRD-in -68.44, -54.58 75.53, -12.92 in-in-in SNCiii in-in ActLoopNT-in 2.8252 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 13.7246 APE11-dist-in 11.7243 APE10-dist-in 7.3343 APE9-dist-in 3.0073 None None None XRAY 1.92 0.172 0.211 A 381.0 350.0 1 25 25 0 [[156, 472]] 1.0 2wu6 Homo sapiens CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
STE SLK SLK_HUMAN 2J51A Q9H2G2 21 308 1235.0 DKI:1314 Type1 Inactive DFGin 6.5233 14.8292 BLAminus -130.32, -176.18 60.33, 78.02 -96.46, 29.37 298.21, 93.29 -66.33, -25.13 in-out in 9.3343 Saltbr-out 4.065 HRD-in -63.84, -54.01 78.76, -8.07 out-in-out SNCoio in-out ActLoopNT-in 2.8097 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 25.4912 APE11-dist-out 29.6303 APE10-dist-out 33.2987 APE9-dist-out 38.3911 None None None XRAY 2.1 0.202 0.233 A 325.0 288.0 0 28 28 0 [[34, 292]] 1.0 2j51 Homo sapiens STE_SLK_HUMAN STE 1.1e-96 329.1 1.0 257.0 257.0 172 173 174 176 178 63 79 83 152 154 153 155.0 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE SLK SLK_HUMAN 2JFLA Q9H2G2 21 308 1235.0 DKI:1309 Type1 Inactive DFGin 6.5483 14.9408 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 4.3715 HRD-in -63.48, -53.98 76.6, -2.17 out-in-out SNCoio in-out ActLoopNT-in 2.8113 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 25.8401 APE11-dist-out 30.0028 APE10-dist-out 33.5178 APE9-dist-out 38.7571 None TPO183,SEP189 TPO183,SEP189 XRAY 2.2 0.205 0.242 A 325.0 288.0 0 28 28 0 [[34, 292]] 1.0 2jfl Homo sapiens STE_SLK_HUMAN STE 1.1e-96 329.1 1.0 257.0 257.0 172 173 174 176 178 63 79 83 152 154 153 155.0 217 200 195 194 193 192 191 190 189 109 STE20-like serine/threonine-protein kinase
STE STK24 STK24_HUMAN 4QMPA Q9Y6E0 18 310 443.0 DKI:60402 Type1 Active DFGin 6.2893 14.9557 BLAminus -138.55, 169.56 58.43, 76.67 -89.83, 22.61 277.06, 84.2 -60.11, -26.02 in-in in 8.8412 Saltbr-in 2.5231 HRD-in -77.4, -47.24 69.58, 0.16 in-in-in SNCiii in-in ActLoopNT-in 2.7364 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 8.6538 APE11-dist-in 10.9445 APE10-dist-in 5.1519 APE9-dist-in 3.3938 None TPO190 TPO190 XRAY 2.0 0.177 0.228 A 310.0 290.0 0 28 28 0 [[36, 286]] 1.0 4qmp Homo sapiens STE_STK24_HUMAN STE 3.9e-100 340.4 1.0 257.0 257.0 173 174 175 177 179 65 82 86 153 155 154 156.0 213 201 196 195 194 193 192 191 190 112 Serine/threonine-protein kinase 24
STE STK26 STK26_HUMAN 4FZFB Q9P289 18 297 416.0 DKI:60301 Type1 Inactive DFGinter 9.133 5.0462 None -57.65, 114.3 -69.67, -9.9 -61.28, -25.81 270.87, 114.11 -63.61, -36.75 out-out out 10.2896 Saltbr-out 4.5391 HRD-in -96.17, -41.99 66.86, 3.24 out-out-out SNCooo out-out ActLoopNT-out 5.1898 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 13.8421 APE10-dist-out 12.3021 APE9-dist-out 9.6321 D162A None None XRAY 3.64 0.255 0.309 B 283.0 278.0 2 28 28 0 [[24, 274]] 1.0 4fzf Homo sapiens STE_STK26_HUMAN STE 6.8e-99 336.3 1.0 257.0 257.0 161 162 163 165 167 53 70 74 141 143 142 144.0 201 189 184 183 182 181 180 179 178 100 Serine/threonine-protein kinase 26
TYR ABL2 ABL2_HUMAN 3HMIA P42684 279 546 1182.0 DKI:1 Type1 Inactive DFGinter 9.1638 4.8262 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 5.7875 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 19.2053 APE11-dist-na 14.3737 APE10-dist-na 16.8455 APE9-dist-in 6.8515 None None None XRAY 1.65 0.19 0.234 A 292.0 268.0 0 29 29 0 [[288, 541]] 1.0 3hmi Homo sapiens TYR_ABL2_HUMAN TYR 2.4e-98 334.6 1.0 260.0 260.0 426 427 428 430 432 317 332 336 406 408 407 409.0 467 455 450 449 448 447 446 445 444 362 Tyrosine-protein kinase ABL2
OTHER IRE1 IRE1_YEAST 3LJ1A P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.5491 14.1977 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 2.7709 HRD-in -75.98, -46.34 75.54, -5.83 in-in-none SNCiin in-none ActLoopNT-in 2.8578 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 434.0 407.0 20 32 25 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4.0 263.0 260.0 827 828 829 831 833 702 715 719 794 796 795 797.0 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER IRE1 IRE1_YEAST 3LJ1B P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.5663 14.1942 BLAminus -134.95, -174.09 65.23, 87.06 -105.31, 31.78 281.4, 59.08 -71.99, -43.07 in-in in 9.0658 Saltbr-in 2.8493 HRD-in -76.02, -48.57 76.62, -4.7 in-in-none SNCiin in-none ActLoopNT-in 2.8831 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 434.0 407.0 20 32 25 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4.0 263.0 260.0 827 828 829 831 833 702 715 719 794 796 795 797.0 902 859 854 853 852 851 850 849 848 746 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
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
OTHER IRE1 IRE1_YEAST 3LJ1A P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.5491 14.1977 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 2.7709 HRD-in -75.98, -46.34 75.54, -5.83 in-in-none SNCiin in-none ActLoopNT-in 2.8578 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 434.0 407.0 20 32 25 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4.0 263.0 260.0 827 828 829 831 833 702 715 719 794 796 795 797.0 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1
OTHER IRE1 IRE1_YEAST 3LJ1B P32361 665 1115 1115.0 DKI:1 Type1 None DFGin 5.5663 14.1942 BLAminus -134.95, -174.09 65.23, 87.06 -105.31, 31.78 281.4, 59.08 -71.99, -43.07 in-in in 9.0658 Saltbr-in 2.8493 HRD-in -76.02, -48.57 76.62, -4.7 in-in-none SNCiin in-none ActLoopNT-in 2.8831 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 434.0 407.0 20 32 25 7 [[672, 977]] 1.0 3lj1 Saccharomyces cerevisiae OTHER_IRE1_YEAST TKL 1e-35 129.7 4.0 263.0 260.0 827 828 829 831 833 702 715 719 794 796 795 797.0 902 859 854 853 852 851 850 849 848 746 Serine/threonine-protein kinase/endoribonuclease IRE1