Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99009 | Target Info | |||
| Target Name | HUMAN dihydroorotate dehydrogenase (DHODH) | ||||
| Synonyms | Dihydroorotate oxidase; Dihydroorotate dehydrogenase (quinone), mitochondrial; DHOdehase; DHODH | ||||
| Gene Name | DHODH | ||||
| Biochemical Class | CH-CH donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | flavin mononucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O | ||||
| InChI | 1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 | ||||
| InChIKey | FVTCRASFADXXNN-SCRDCRAPSA-N | ||||
| PubChem Compound ID | 643976 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6FMD Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [1] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPGKAE229 LRRLLTKVLQ239 ERDGLRRVHR 249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR289 PAGLQGALRS 299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG339 QDALEKIRAG 349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA389 IGADHRR |
|||||
|
|
ALA95
3.276
ALA96
2.696
GLY97
3.253
LYS100
2.854
GLU117
4.933
GLY119
3.671
SER120
2.858
VAL134
4.615
VAL143
4.316
ASN145
3.341
TYR147
3.845
PHE149
4.544
ASN181
2.982
ASN212
3.125
LYS255
2.843
|
|||||
| PDB ID: 2FPV Dual binding mode of a novel series of DHODH inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
|
ALA95
3.320
ALA96
2.687
GLY97
3.108
LYS100
2.828
GLU117
4.992
GLY119
3.641
SER120
2.806
VAL134
4.397
VAL143
4.250
ASN145
3.304
TYR147
3.638
PHE149
4.294
ASN181
2.926
ASN212
3.277
LYS255
2.810
|
|||||
| PDB ID: 2FQI dual binding modes of a novel series of DHODH inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPRAFQ74 DSDMLEVRVL84 GHKFRNPVGI 94 AAGFDKHGEA104 VDGLYKMGFG114 FVEIGSVTPK124 PQEGNPRPRV134 FRLPEDQAVI 144 NRYGFNSHGL154 SVVEHRLRAR164 QQKQAKLTED174 GLPLGVNLGK184 NKTSVDAAED 194 YAEGVRVLGP204 LADYLVVNVS214 SPNTAGLRSL224 QGKAELRRLL234 TKVLQERDGL 244 RRVHRPAVLV254 KIAPDLTSQD264 KEDIASVVKE274 LGIDGLIVTN284 TTVSRPAGLQ 294 GALRSETGGL304 SGKPLRDLST314 QTIREMYALT324 QGRVPIIGVG334 GVSSGQDALE 344 KIRAGASLVQ354 LYTALTFWGP364 PVVGKVKREL374 EALLKEQGFG384 GVTDAIGADH 394 RR
|
|||||
|
|
ALA95
3.339
ALA96
2.719
GLY97
3.079
LYS100
2.828
GLU117
4.963
GLY119
3.658
SER120
2.842
VAL134
4.382
VAL143
4.205
ASN145
3.274
TYR147
3.654
PHE149
4.305
ASN181
2.903
ASN212
3.092
LYS255
2.753
|
|||||
| PDB ID: 2FPY Dual binding mode of a novel series of DHODH inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.285
ALA96
2.715
GLY97
3.091
LYS100
2.871
GLU117
4.973
GLY119
3.699
SER120
2.762
VAL134
4.459
VAL143
4.272
ASN145
3.281
TYR147
3.587
PHE149
4.266
ASN181
2.885
ASN212
3.269
LYS255
2.752
|
|||||
| PDB ID: 3U2O Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [3] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.476
ALA95
3.260
ALA96
2.655
GLY97
3.158
LYS100
2.789
GLU117
4.791
GLY119
3.600
SER120
2.912
VAL134
4.701
VAL143
4.352
ASN145
3.250
TYR147
3.633
PHE149
4.400
ASN181
2.880
ASN212
3.193
LYS255
2.832
|
|||||
| PDB ID: 2FPT Dual Binding Mode of a Novel Series of DHODH inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.183
ALA96
2.705
GLY97
3.135
LYS100
2.876
GLY119
3.611
SER120
2.815
VAL134
4.299
VAL143
4.060
ASN145
3.216
TYR147
3.614
PHE149
4.411
ASN181
2.883
ASN212
3.089
LYS255
2.899
THR283
2.960
|
|||||
| PDB ID: 2B0M Human dihydroorotate dehydrogenase bound to a novel inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR 245 RVHRPAVLVK255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG 295 ALRSETGGLS305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK 345 IRAGASLVQL355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR 395 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.376
ALA96
2.636
GLY97
3.168
LYS100
2.869
GLY119
3.890
SER120
3.032
VAL134
4.296
VAL143
4.214
ASN145
3.273
TYR147
3.535
PHE149
4.285
ASN181
2.904
ASN212
3.245
LYS255
2.775
THR283
3.562
|
|||||
| PDB ID: 5H2Z Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [5] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.292
ALA96
2.704
GLY97
3.313
LYS100
2.789
GLU117
4.959
GLY119
3.698
SER120
2.864
VAL134
4.519
VAL143
4.416
ASN145
3.463
TYR147
3.744
PHE149
4.333
ASN181
2.940
ASN212
3.134
LYS255
2.795
|
|||||
| PDB ID: 5H73 Crystal structure of human DHODH with 18F | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [6] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.341
ALA96
2.712
GLY97
3.349
LYS100
2.865
GLU117
4.939
GLY119
3.638
SER120
2.866
VAL134
4.508
VAL143
4.364
ASN145
3.447
TYR147
3.719
PHE149
4.270
ASN181
2.953
ASN212
3.177
LYS255
2.775
|
|||||
| PDB ID: 5HIN Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.282
ALA96
2.748
GLY97
3.240
LYS100
2.825
GLU117
4.972
GLY119
3.782
SER120
2.852
VAL134
4.567
VAL143
4.241
ASN145
3.381
TYR147
3.780
PHE149
4.265
ASN181
2.963
ASN212
3.111
LYS255
2.799
|
|||||
| PDB ID: 5HQE Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [8] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.368
ALA96
2.627
GLY97
3.136
LYS100
2.789
GLY119
3.709
SER120
2.809
VAL134
4.582
VAL143
4.323
ASN145
3.341
TYR147
3.660
PHE149
4.275
ASN181
3.004
ASN212
2.996
LYS255
2.863
THR283
2.973
|
|||||
| PDB ID: 5ZF4 Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [9] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.986
ALA95
3.317
ALA96
2.709
GLY97
3.099
LYS100
2.834
GLU117
4.995
GLY119
3.687
SER120
2.849
VAL134
4.363
VAL143
4.146
ASN145
3.283
TYR147
3.712
PHE149
4.370
ASN181
2.907
ASN212
3.065
LYS255
2.804
|
|||||
| PDB ID: 3W7R Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097 | ||||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [10] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.310
ALA96
2.677
GLY97
3.272
LYS100
2.839
GLU117
4.891
GLY119
3.631
SER120
2.881
VAL134
4.494
VAL143
4.315
ASN145
3.399
TYR147
3.771
PHE149
4.385
ASN181
2.878
ASN212
3.201
LYS255
2.817
|
|||||
| PDB ID: 5ZF8 Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [9] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.936
ALA95
3.313
ALA96
2.710
GLY97
3.080
LYS100
2.830
GLU117
4.976
GLY119
3.676
SER120
2.859
VAL134
4.213
VAL143
4.150
ASN145
3.319
TYR147
3.698
PHE149
4.378
ASN181
2.920
ASN212
3.113
LYS255
2.788
|
|||||
| PDB ID: 5ZFA Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [9] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.972
ALA95
3.327
ALA96
2.694
GLY97
3.082
LYS100
2.840
GLU117
4.968
GLY119
3.629
SER120
2.856
VAL134
4.264
VAL143
4.112
ASN145
3.335
TYR147
3.710
PHE149
4.375
ASN181
2.922
ASN212
3.119
LYS255
2.775
|
|||||
| PDB ID: 6M2B Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [11] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.268
ALA96
2.703
GLY97
3.185
LYS100
2.834
GLU117
4.983
GLY119
3.712
SER120
2.840
VAL134
4.581
VAL143
4.359
ASN145
3.374
TYR147
3.867
PHE149
4.633
ASN181
2.934
ASN212
2.948
LYS255
2.821
|
|||||
| PDB ID: 5ZF9 Structure of human dihydroorotate dehydrogenase in complex with 280-12 | ||||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [9] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.335
ALA96
2.692
GLY97
3.090
LYS100
2.826
GLY119
3.643
SER120
2.861
VAL134
4.534
VAL143
4.093
ASN145
3.351
TYR147
3.713
PHE149
4.360
ASN181
2.906
ASN212
3.135
LYS255
2.783
THR283
2.997
|
|||||
| PDB ID: 4YLW Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [12] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.312
ALA96
2.710
GLY97
3.323
LYS100
2.818
GLU117
4.939
GLY119
3.634
SER120
2.856
VAL134
4.540
VAL143
4.343
ASN145
3.403
TYR147
3.695
PHE149
4.286
ASN181
2.916
ASN212
3.244
LYS255
2.791
|
|||||
| PDB ID: 5ZF7 Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [9] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.314
ALA96
2.714
GLY97
3.126
LYS100
2.829
GLU117
4.986
GLY119
3.650
SER120
2.846
VAL134
4.342
VAL143
4.167
ASN145
3.317
TYR147
3.664
PHE149
4.326
ASN181
2.909
ASN212
3.166
LYS255
2.804
|
|||||
| PDB ID: 3KVL Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [13] |
| PDB Sequence |
FYAEHLMPTL
46 QGLLDPESAH56 RLAVRFTSLG66 LLPRARFQDS76 DMLEVRVLGH86 KFRNPVGIAA 96 GFDKHGEAVD106 GLYKMGFGFV116 EIGSVTPKPQ126 EGNPRPRVFR136 LPEDQAVINR 146 YGFNSHGLSV156 VEHRLRARQQ166 KQAKLTEDGL176 PLGVNLGKNK186 TSVDAAEDYA 196 EGVRVLGPLA206 DYLVVNVSSP216 NTAGLRSLQG226 KAELRRLLTK236 VLQERDGLRR 246 VHRPAVLVKI256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA 296 LRSETGGLSG306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI 346 RAGASLVQLY356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.387
ALA96
2.692
GLY97
3.131
LYS100
2.900
GLU117
4.907
GLY119
3.674
SER120
2.783
VAL134
4.538
VAL143
4.331
ASN145
3.367
TYR147
3.604
PHE149
4.242
ASN181
2.831
ASN212
3.158
LYS255
2.786
|
|||||
| PDB ID: 5MVC Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [14] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPFQ74 DSDMLEVRVL84 GHKFRNPVGI 94 AAGFDKHGEA104 VDGLYKMGFG114 FVEIGSVTPK124 PQEGNPRPRV134 FRLPEDQAVI 144 NRYGFNSHGL154 SVVEHRLRAR164 QQKQAKLTED174 GLPLGVNLGK184 NKTSVDAAED 194 YAEGVRVLGP204 LADYLVVNVS214 SPKAELRRLL234 TKVLQERDGL244 RRVHRPAVLV 254 KIAPDLTSQD264 KEDIASVVKE274 LGIDGLIVTN284 TTVSRPAGLQ294 GALRSETGGL 304 SGKPLRDLST314 QTIREMYALT324 QGRVPIIGVG334 GVSSGQDALE344 KIRAGASLVQ 354 LYTALTFWGP364 PVVGKVKREL374 EALLKEQGFG384 GVTDAIGADH394 RR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.247
ALA96
2.684
GLY97
3.332
LYS100
2.741
GLU117
4.951
GLY119
3.707
SER120
2.773
VAL134
4.574
VAL143
4.420
ASN145
3.425
TYR147
3.684
PHE149
4.130
ASN181
2.865
ASN212
3.055
LYS255
2.841
|
|||||
| PDB ID: 4ZL1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [15] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.269
ALA96
2.655
GLY97
3.280
LYS100
2.773
GLU117
4.974
GLY119
3.663
SER120
2.879
VAL134
4.526
VAL143
4.396
ASN145
3.390
TYR147
3.613
PHE149
4.355
ASN181
2.969
ASN212
3.103
LYS255
2.868
|
|||||
| PDB ID: 4JTU Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [16] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.315
ALA96
2.719
GLY97
3.155
LYS100
2.900
GLU117
4.992
GLY119
3.674
SER120
2.865
VAL134
4.353
VAL143
4.273
ASN145
3.363
TYR147
3.670
PHE149
4.267
ASN181
2.909
ASN212
3.124
LYS255
2.834
|
|||||
| PDB ID: 4ZMG Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [17] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.277
ALA96
2.755
GLY97
3.208
LYS100
2.830
GLU117
4.941
GLY119
3.725
SER120
2.864
VAL134
4.605
VAL143
4.351
ASN145
3.389
TYR147
3.695
PHE149
4.331
ASN181
2.876
ASN212
3.199
LYS255
2.791
|
|||||
| PDB ID: 6IDJ Crystal structure of human DHODH in complex with ferulenol | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [18] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.316
ALA96
2.664
GLY97
3.195
LYS100
2.845
GLU117
4.946
GLY119
3.630
SER120
2.866
VAL134
4.501
VAL143
4.202
ASN145
3.385
TYR147
3.666
PHE149
4.396
ASN181
2.890
ASN212
3.165
LYS255
2.821
|
|||||
| PDB ID: 3KVJ Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [13] |
| PDB Sequence |
GDERFYAHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPRARF73 QDSDMLEVRV83 LGHKFRNPVG 93 IAAGFDKHGE103 AVDGLYKMGF113 GFVEIGSVTP123 KPQEGNPRPR133 VFRLPEDQAV 143 INRYGFNSHG153 LSVVEHRLRA163 RQQKQAKLTE173 DGLPLGVNLG183 KNKTSVDAAE 193 DYAEGVRVLG203 PLADYLVVNV213 SSPNTAGLRS223 LQGKAELRRL233 LTKVLQERDG 243 LRRVHRPAVL253 VKIAPDLTSQ263 DKEDIASVVK273 ELGIDGLIVT283 NTTVSRPAGL 293 QGALRSETGG303 LSGKPLRDLS313 TQTIREMYAL323 TQGRVPIIGV333 GGVSSGQDAL 343 EKIRAGASLV353 QLYTALTFWG363 PPVVGKVKRE373 LEALLKEQGF383 GGVTDAIGAD 393 HRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.378
ALA96
2.729
GLY97
3.126
LYS100
2.695
GLU117
4.933
GLY119
3.694
SER120
2.763
VAL134
4.585
VAL143
4.391
ASN145
3.450
TYR147
3.639
PHE149
4.322
ASN181
2.841
ASN212
3.257
LYS255
2.817
|
|||||
| PDB ID: 3KVM Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.308
ALA96
2.681
GLY97
3.096
LYS100
2.875
GLU117
4.905
GLY119
3.726
SER120
2.685
VAL134
4.728
VAL143
4.337
ASN145
3.359
TYR147
3.799
PHE149
4.465
ASN181
2.820
ASN212
2.978
LYS255
2.865
|
|||||
| PDB ID: 4JS3 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.320
ALA96
2.756
GLY97
3.215
LYS100
2.729
GLU117
4.977
GLY119
3.728
SER120
2.823
VAL134
4.473
VAL143
4.251
ASN145
3.453
TYR147
3.599
PHE149
4.250
ASN181
2.853
ASN212
3.201
LYS255
2.800
|
|||||
| PDB ID: 5ZFB Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:307 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.365
ALA96
2.655
GLY97
3.108
LYS100
2.769
GLU117
4.979
GLY119
3.735
SER120
2.903
VAL134
4.513
VAL143
4.151
ASN145
3.432
TYR147
3.634
PHE149
4.332
ASN181
2.837
ASN212
3.188
LYS255
2.802
THR283
3.010
|
|||||
| PDB ID: 3KVK Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [13] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.354
ALA96
2.709
GLY97
3.120
LYS100
2.829
GLU117
4.922
GLY119
3.730
SER120
2.758
VAL134
4.646
VAL143
4.357
ASN145
3.411
TYR147
3.873
PHE149
4.428
ASN181
2.774
ASN212
2.956
LYS255
2.867
|
|||||
| PDB ID: 4JGD Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [20] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.234
ALA96
2.673
GLY97
3.123
LYS100
2.791
GLU117
5.000
GLY119
3.744
SER120
2.807
VAL134
4.522
VAL143
4.173
ASN145
3.390
TYR147
3.631
PHE149
4.233
ASN181
2.849
ASN212
3.113
LYS255
2.838
|
|||||
| PDB ID: 4LS0 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [21] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.262
ALA96
2.735
GLY97
3.139
LYS100
2.764
GLU117
4.928
GLY119
3.764
SER120
2.817
VAL134
4.546
VAL143
4.189
ASN145
3.348
TYR147
3.712
PHE149
4.306
ASN181
2.816
ASN212
3.207
LYS255
2.834
|
|||||
| PDB ID: 4JTT Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.319
ALA96
2.751
GLY97
3.203
LYS100
2.782
GLY119
3.727
SER120
2.820
VAL134
4.515
VAL143
4.157
ASN145
3.413
TYR147
3.649
PHE149
4.312
ASN181
2.843
ASN212
3.106
LYS255
2.771
THR283
3.024
|
|||||
| PDB ID: 4LS1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [23] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.229
ALA96
2.738
GLY97
3.134
LYS100
2.726
GLU117
4.965
GLY119
3.869
SER120
2.829
VAL134
4.565
VAL143
4.214
ASN145
3.275
TYR147
3.830
PHE149
4.338
ASN181
2.923
ASN212
3.055
LYS255
2.725
|
|||||
| PDB ID: 4JTS Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072 | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [24] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.324
ALA96
2.698
GLY97
3.224
LYS100
2.814
GLY119
3.766
SER120
2.914
VAL134
4.378
VAL143
4.177
ASN145
3.393
TYR147
3.672
PHE149
4.235
ASN181
2.826
ASN212
3.140
LYS255
2.815
THR283
3.027
|
|||||
| PDB ID: 4RK8 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [25] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.302
ALA96
2.654
GLY97
3.167
LYS100
2.826
GLU117
4.912
GLY119
3.747
SER120
2.916
VAL134
4.678
VAL143
4.386
ASN145
3.495
TYR147
3.631
PHE149
4.389
ASN181
2.957
ASN212
3.194
LYS255
2.820
|
|||||
| PDB ID: 4LS2 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [26] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.231
ALA96
2.743
GLY97
3.117
LYS100
2.732
GLU117
4.934
GLY119
3.829
SER120
2.898
VAL134
4.540
VAL143
4.172
ASN145
3.265
TYR147
3.826
PHE149
4.293
ASN181
2.908
ASN212
3.060
LYS255
2.776
|
|||||
| PDB ID: 4RR4 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [27] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.215
ALA96
2.661
GLY97
3.156
LYS100
2.945
GLU117
4.935
GLY119
3.744
SER120
2.988
VAL134
4.784
VAL143
4.217
ASN145
3.302
TYR147
3.652
PHE149
4.334
ASN181
2.874
ASN212
3.045
LYS255
2.771
|
|||||
| PDB ID: 4RLI Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [28] |
| PDB Sequence |
LQGLLDPESA
55 HRLAVRFTSL65 GLLPRARFQD75 SDMLEVRVLG85 HKFRNPVGIA95 AGFDKHGEAV 105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN145 RYGFNSHGLS 155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY195 AEGVRVLGPL 205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR245 RVHRPAVLVK 255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG295 ALRSETGGLS 305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK345 IRAGASLVQL 355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR395 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.234
ALA96
2.629
GLY97
3.192
LYS100
2.648
GLU117
4.971
GLY119
3.832
SER120
2.866
VAL134
4.601
VAL143
4.253
ASN145
3.323
TYR147
3.720
PHE149
4.224
ASN181
2.793
ASN212
3.048
LYS255
2.852
|
|||||
| PDB ID: 4RKA Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 | ||||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [29] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.360
ALA96
2.708
GLY97
3.192
LYS100
2.738
GLU117
4.828
GLY119
3.875
SER120
2.902
VAL134
4.559
VAL143
4.267
ASN145
3.247
TYR147
3.526
PHE149
4.243
ASN181
2.886
ASN212
3.064
LYS255
2.758
|
|||||
| PDB ID: 4OQV High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine) | ||||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [30] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPRARF73 QDSDMLEVRV83 LGHKFRNPVG 93 IAAGFDKHGE103 AVDGLYKMGF113 GFVEIGSVTP123 KPQEGNPRPR133 VFRLPEDQAV 143 INRYGFNSHG153 LSVVEHRLRA163 RQQKQAKLTE173 DGLPLGVNLG183 KNKTSVDAAE 193 DYAEGVRVLG203 PLADYLVVNV213 SSPGKAELRR232 LLTKVLQERD242 GLRRVHRPAV 252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG292 LQGALRSETG 302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA342 LEKIRAGASL 352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA392 DHR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.291
ALA96
2.697
GLY97
3.251
LYS100
2.682
GLU117
4.930
GLY119
3.628
SER120
2.868
VAL134
4.534
VAL143
4.378
ASN145
3.479
TYR147
3.639
PHE149
4.612
ASN181
3.001
ASN212
2.996
LYS255
2.825
|
|||||
| PDB ID: 6CJF Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | ||||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [31] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLQDSD77 MLEVRVLGHK87 FRNPVGIAAG 97 FDKHGEAVDG107 LYKMGFGFVE117 IGSVTPKPQE127 GNPRPRVFRL137 PEDQAVINRY 147 GFNSHGLSVV157 EHRLRARQQK167 QAKLTEDGLP177 LGVNLGKNKT187 SVDAAEDYAE 197 GVRVLGPLAD207 YLVVNVGKAE229 LRRLLTKVLQ239 ERDGLRRVHR249 PAVLVKIAPD 259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR289 PAGLQGALRS299 ETGGLSGKPL 309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG339 QDALEKIRAG349 ASLVQLYTAL 359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA389 IGADHRRLEA399 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.320
ALA96
2.751
GLY97
3.046
LYS100
2.783
GLU117
4.933
GLY119
3.719
SER120
2.833
VAL134
4.727
VAL143
4.307
ASN145
3.427
TYR147
3.865
PHE149
4.635
ASN181
3.115
ASN212
2.930
LYS255
2.790
|
|||||
| PDB ID: 6CJG Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [31] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPRFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNLQGKAELR231 RLLTKVLQER241 DGLRRVHRPA 251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA291 GLQGALRSET 301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD341 ALEKIRAGAS 351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG391 ADHR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.367
ALA96
2.663
GLY97
3.087
LYS100
2.892
GLU117
4.982
GLY119
3.823
SER120
2.848
VAL134
4.608
VAL143
4.440
ASN145
3.340
TYR147
3.725
PHE149
4.354
ASN181
3.134
ASN212
3.268
LYS255
2.760
|
|||||
| PDB ID: 4IGH High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [32] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPRQDS76 DMLEVRVLGH86 KFRNPVGIAA 96 GFDKHGEAVD106 GLYKMGFGFV116 EIGSVTPKPQ126 EGNPRPRVFR136 LPEDQAVINR 146 YGFNSHGLSV156 VEHRLRARQQ166 KQAKLTEDGL176 PLGVNLGKNK186 TSVDAAEDYA 196 EGVRVLGPLA206 DYLVVNVSSP216 NTAGLGKAEL230 RRLLTKVLQE240 RDGLRRVHRP 250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP290 AGLQGALRSE 300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ340 DALEKIRAGA 350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI390 GADHRR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:313 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.130
ALA95
1.749
ALA96
2.664
GLY97
2.436
LYS100
1.981
GLU117
4.954
GLY119
3.713
SER120
1.920
VAL134
3.617
VAL143
3.238
ASN145
2.376
TYR147
2.161
PHE149
3.425
ASN181
2.974
ASN212
2.518
LYS255
2.059
THR283
2.962
|
|||||
| PDB ID: 6OC0 Crystal structure of human DHODH with OSU-03012 | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [33] |
| PDB Sequence |
ATGDERFYAE
39 HLMPTLQGLL49 DPESAHRLAV59 RFTSLGLLPR69 ARFQDSDMLE79 VRVLGHKFRN 89 PVGIAAGFDK99 HGEAVDGLYK109 MGFGFVEIGS119 VTPKPQEGNP129 RPRVFRLPED 139 QAVINRYGFN149 SHGLSVVEHR159 LRARQQKQAK169 LTEDGLPLGV179 NLGKNKTSVD 189 AAEDYAEGVR199 VLGPLADYLV209 VNVSSPNTAG219 LRSLQGKAEL229 RRLLTKVLQE 239 RDGLRRVHRP249 AVLVKIAPDL259 TSQDKEDIAS269 VVKELGIDGL279 IVTNTTVSRP 289 AGLQGALRSE299 TGGLSGKPLR309 DLSTQTIREM319 YALTQGRVPI329 IGVGGVSSGQ 339 DALEKIRAGA349 SLVQLYTALT359 FWGPPVVGKV369 KRELEALLKE379 QGFGGVTDAI 389 GADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:94 or .A:95 or .A:96 or .A:99 or .A:116 or .A:118 or .A:119 or .A:133 or .A:142 or .A:144 or .A:146 or .A:148 or .A:180 or .A:211 or .A:254 or .A:282 or .A:283 or .A:284 or .A:304 or .A:305 or .A:308 or .A:332 or .A:333 or .A:334 or .A:335 or .A:353 or .A:354 or .A:355 or .A:356 or .A:357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA94
3.295
ALA95
2.671
GLY96
3.258
LYS99
2.783
GLU116
4.947
GLY118
3.747
SER119
2.904
VAL133
4.556
VAL142
4.542
ASN144
3.412
TYR146
3.618
PHE148
4.418
ASN180
2.934
ASN211
3.162
LYS254
2.837
|
|||||
| PDB ID: 7K2U DHODH IN COMPLEX WITH LIGAND 13 | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [34] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.947
ALA95
3.263
ALA96
2.659
GLY97
3.147
LYS100
2.851
GLU117
4.940
GLY119
3.734
SER120
2.782
VAL134
4.674
VAL143
4.262
ASN145
3.290
TYR147
3.702
PHE149
4.300
ASN181
2.877
ASN212
3.013
LYS255
2.809
|
|||||
| PDB ID: 8DHF DHODH IN COMPLEX WITH LIGAND 11 | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [35] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPQ74 DSDMLEVRVL84 GHKFRNPVGI 94 AAGFDKHGEA104 VDGLYKMGFG114 FVEIGSVTPK124 PQEGNPRPRV134 FRLPEDQAVI 144 NRYGFNSHGL154 SVVEHRLRAR164 QQKQAKLTED174 GLPLGVNLGK184 NKTSVDAAED 194 YAEGVRVLGP204 LADYLVVNVS214 SPNTGKAELR231 RLLTKVLQER241 DGLRRVHRPA 251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA291 GLQGALRSET 301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD341 ALEKIRAGAS 351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG391 ADHRR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.770
ALA95
3.325
ALA96
2.648
GLY97
3.119
LYS100
2.791
GLU117
4.961
GLY119
3.695
SER120
2.805
VAL134
4.913
VAL143
4.289
ASN145
3.299
TYR147
3.662
PHE149
4.539
ASN181
2.907
ASN212
3.205
LYS255
2.873
|
|||||
| PDB ID: 8DHG DHODH IN COMPLEX WITH LIGAND 19 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [35] |
| PDB Sequence |
AMATGDERFY
38 AEHLMPTLQG48 LLDPESAHRL58 AVRFTSLGLL68 PRARFQDSDM78 LEVRVLGHKF 88 RNPVGIAAGF98 DKHGEAVDGL108 YKMGFGFVEI118 GSVTPKPQEG128 NPRPRVFRLP 138 EDQAVINRYG148 FNSHGLSVVE158 HRLRARQQKQ168 AKLTEDGLPL178 GVNLGKNKTS 188 VDAAEDYAEG198 VRVLGPLADY208 LVVNVSSPQG226 KAELRRLLTK236 VLQERDGLRR 246 VHRPAVLVKI256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA 296 LRSETGGLSG306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI 346 RAGASLVQLY356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.784
ALA95
3.362
ALA96
2.586
GLY97
3.114
LYS100
2.866
GLU117
4.976
GLY119
3.687
SER120
2.815
VAL134
4.721
VAL143
4.264
ASN145
3.304
TYR147
3.632
PHE149
4.494
ASN181
2.940
ASN212
2.999
LYS255
2.864
|
|||||
| PDB ID: 8DHH DHODH IN COMPLEX WITH LIGAND 29 | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [35] |
| PDB Sequence |
AMATGDERFY
38 AEHLMPTLQG48 LLDPESAHRL58 AVRFTSLGLL68 PRARFQDSDM78 LEVRVLGHKF 88 RNPVGIAAGF98 DKHGEAVDGL108 YKMGFGFVEI118 GSVTPKPQEG128 NPRPRVFRLP 138 EDQAVINRYG148 FNSHGLSVVE158 HRLRARQQKQ168 AKLTEDGLPL178 GVNLGKNKTS 188 VDAAEDYAEG198 VRVLGPLADY208 LVVNVSSPGK227 AELRRLLTKV237 LQERDGLRRV 247 HRPAVLVKIA257 PDLTSQDKED267 IASVVKELGI277 DGLIVTNTTV287 SRPAGLQGAL 297 RSETGGLSGK307 PLRDLSTQTI317 REMYALTQGR327 VPIIGVGGVS337 SGQDALEKIR 347 AGASLVQLYT357 ALTFWGPPVV367 GKVKRELEAL377 LKEQGFGGVT387 DAIGADHR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.804
ALA95
3.338
ALA96
2.590
GLY97
3.105
LYS100
2.834
GLY119
3.745
SER120
2.836
VAL134
4.612
VAL143
4.218
ASN145
3.276
TYR147
3.659
PHE149
4.555
ASN181
3.031
ASN212
2.926
LYS255
2.831
|
|||||
| PDB ID: 6OC1 Crystal structure of human DHODH with TAK-632 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [33] |
| PDB Sequence |
TGDERFYAEH
40 LMPTLQGLLD50 PESAHRLAVR60 FTSLGLLPRA70 RFQDSDMLEV80 RVLGHKFRNP 90 VGIAAGFDKH100 GEAVDGLYKM110 GFGFVEIGSV120 TPKPQEGNPR130 PRVFRLPEDQ 140 AVINRYGFNS150 HGLSVVEHRL160 RARQQKQAKL170 TEDGLPLGVN180 LGKNKTSVDA 190 AEDYAEGVRV200 LGPLADYLVV210 NVSSPNTAGL220 RSLQGKAELR230 RLLTKVLQER 240 DGLRRVHRPA250 VLVKIAPDLT260 SQDKEDIASV270 VKELGIDGLI280 VTNTTVSRPA 290 GLQGALRSET300 GGLSGKPLRD310 LSTQTIREMY320 ALTQGRVPII330 GVGGVSSGQD 340 ALEKIRAGAS350 LVQLYTALTF360 WGPPVVGKVK370 RELEALLKEQ380 GFGGVTDAIG 390 ADH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:94 or .A:95 or .A:96 or .A:99 or .A:116 or .A:118 or .A:119 or .A:133 or .A:142 or .A:144 or .A:146 or .A:148 or .A:180 or .A:211 or .A:254 or .A:282 or .A:283 or .A:284 or .A:304 or .A:305 or .A:308 or .A:332 or .A:333 or .A:334 or .A:335 or .A:353 or .A:354 or .A:355 or .A:356; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA94
3.233
ALA95
2.524
GLY96
3.022
LYS99
2.938
GLU116
4.991
GLY118
3.638
SER119
2.600
VAL133
4.764
VAL142
4.082
ASN144
3.000
TYR146
3.589
PHE148
4.166
ASN180
2.715
ASN211
3.410
LYS254
2.873
|
|||||
| PDB ID: 6VND Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [36] |
| PDB Sequence |
ATGDERFYAE
39 HLMPTLQGLL49 DPESAHRLAV59 RFTSLGLLPR69 ARFQDSDMLE79 VRVLGHKFRN 89 PVGIAAGFDK99 HGEAVDGLYK109 MGFGFVEIGS119 VTPKPQEGNP129 RPRVFRLPED 139 QAVINRYGFN149 SHGLSVVEHR159 LRARQQKQAK169 LTEDGLPLGV179 NLGKNKTSVD 189 AAEDYAEGVR199 VLGPLADYLV209 VNVSSPNTAG219 LRSLQGKAEL229 RRLLTKVLQE 239 RDGLRRVHRP249 AVLVKIAPDL259 TSQDKEDIAS269 VVKELGIDGL279 IVTNTTVSRP 289 AGLQGALRSE299 TGGLSGKPLR309 DLSTQTIREM319 YALTQGRVPI329 IGVGGVSSGQ 339 DALEKIRAGA349 SLVQLYTALT359 FWGPPVVGKV369 KRELEALLKE379 QGFGGVTDAI 389 GADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:94 or .A:95 or .A:96 or .A:99 or .A:116 or .A:118 or .A:119 or .A:133 or .A:142 or .A:144 or .A:146 or .A:148 or .A:180 or .A:211 or .A:254 or .A:282 or .A:283 or .A:284 or .A:304 or .A:305 or .A:308 or .A:332 or .A:333 or .A:334 or .A:335 or .A:353 or .A:354 or .A:355 or .A:356 or .A:357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA94
3.318
ALA95
2.655
GLY96
3.276
LYS99
2.917
GLU116
4.925
GLY118
3.680
SER119
2.854
VAL133
4.552
VAL142
4.293
ASN144
3.538
TYR146
3.646
PHE148
4.458
ASN180
2.849
ASN211
3.138
LYS254
2.780
|
|||||
| PDB ID: 3ZWT Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [37] |
| PDB Sequence |
HLMPTLQGLL
50 DPESAHRLAV60 RFTSLGLLRF73 QDSDMLEVRV83 LGHKFRNPVG93 IAAGFDKHGE 103 AVDGLYKMGF113 GFVEIGSVTP123 KPQEGNPRPR133 VFRLPEDQAV143 INRYGFNSHG 153 LSVVEHRLRA163 RQQKQAKLTE173 DGLPLGVNLG183 KNKTSVDAAE193 DYAEGVRVLG 203 PLADYLVVNV213 SSPNTAGLRS223 LQGKAELRRL233 LTKVLQERDG243 LRRVHRPAVL 253 VKIAPDLTSQ263 DKEDIASVVK273 ELGIDGLIVT283 NTTVSRPAGL293 QGALRSETGG 303 LSGKPLRDLS313 TQTIREMYAL323 TQGRVPIIGV333 GGVSSGQDAL343 EKIRAGASLV 353 QLYTALTFWG363 PPVVGKVKRE373 LEALLKEQGF383 GGVTDAIGAD393 HRR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.302
ALA96
2.733
GLY97
3.252
LYS100
2.792
GLU117
4.903
GLY119
3.674
SER120
2.902
VAL134
4.885
VAL143
4.266
ASN145
3.444
TYR147
3.696
PHE149
4.401
ASN181
2.853
ASN212
3.226
LYS255
2.833
|
|||||
| PDB ID: 1D3G HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [38] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLG226 KAELRRLLTK236 VLQERDGLRR 246 VHRPAVLVKI256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA 296 LRSETGGLSG306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI 346 RAGASLVQLY356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHRR 396
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.287
ALA96
2.743
GLY97
3.135
LYS100
2.752
GLU117
4.914
GLY119
3.686
SER120
2.892
VAL134
4.818
VAL143
4.513
ASN145
3.416
TYR147
3.821
PHE149
4.406
ASN181
2.940
ASN212
2.954
LYS255
2.823
|
|||||
| PDB ID: 3ZWS Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [37] |
| PDB Sequence |
HLMPTLQGLL
50 DPESAHRLAV60 RFTSLGLLAR72 FQDSDMLEVR82 VLGHKFRNPV92 GIAAGFDKHG 102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA142 VINRYGFNSH 152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA192 EDYAEGVRVL 202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD242 GLRRVHRPAV 252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG292 LQGALRSETG 302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA342 LEKIRAGASL 352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA392 DHRR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.268
ALA96
2.691
GLY97
3.287
LYS100
2.802
GLU117
4.937
GLY119
3.680
SER120
2.874
VAL134
4.317
VAL143
4.279
ASN145
3.388
TYR147
3.653
PHE149
4.353
ASN181
2.911
ASN212
3.172
LYS255
2.815
|
|||||
| PDB ID: 6ET4 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [39] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.998
ALA95
3.298
ALA96
2.689
GLY97
3.263
LYS100
2.753
GLU117
4.936
GLY119
3.721
SER120
2.887
VAL134
4.783
VAL143
4.334
ASN145
3.469
TYR147
3.696
PHE149
4.144
ASN181
3.003
ASN212
3.173
LYS255
2.862
|
|||||
| PDB ID: 1D3H HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [38] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.826
ALA95
3.315
ALA96
2.669
GLY97
3.100
LYS100
2.850
GLU117
4.878
GLY119
3.639
SER120
2.882
VAL134
4.628
VAL143
4.279
ASN145
3.360
TYR147
3.734
PHE149
4.268
ASN181
2.846
ASN212
3.205
LYS255
2.809
|
|||||
| PDB ID: 3FJ6 Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [40] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR 245 RVHRPAVLVK255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG 295 ALRSETGGLS305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK 345 IRAGASLVQL355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR 395 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.311
ALA96
2.693
GLY97
3.205
LYS100
2.806
GLU117
4.920
GLY119
3.606
SER120
2.791
VAL134
4.311
VAL143
4.137
ASN145
3.290
TYR147
3.726
PHE149
4.400
ASN181
2.933
ASN212
3.108
LYS255
2.825
|
|||||
| PDB ID: 3G0X Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [40] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPFQDS76 DMLEVRVLGH86 KFRNPVGIAA 96 GFDKHGEAVD106 GLYKMGFGFV116 EIGSVTPKPQ126 EGNPRPRVFR136 LPEDQAVINR 146 YGFNSHGLSV156 VEHRLRARQQ166 KQAKLTEDGL176 PLGVNLGKNK186 TSVDAAEDYA 196 EGVRVLGPLA206 DYLVVNVSSP216 NTAGLRSLQG226 KAELRRLLTK236 VLQERDGLRR 246 VHRPAVLVKI256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA 296 LRSETGGLSG306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI 346 RAGASLVQLY356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHRR 396
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.336
ALA96
2.689
GLY97
3.226
LYS100
2.939
GLU117
4.941
GLY119
3.703
SER120
2.854
VAL134
4.569
VAL143
4.243
ASN145
3.442
TYR147
3.770
PHE149
4.350
ASN181
2.850
ASN212
3.253
LYS255
2.825
|
|||||
| PDB ID: 6GK0 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [41] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.299
ALA96
2.684
GLY97
3.258
LYS100
2.892
GLU117
4.941
GLY119
3.731
SER120
2.896
VAL134
4.540
VAL143
4.298
ASN145
3.370
TYR147
3.607
PHE149
4.347
ASN181
2.850
ASN212
3.114
LYS255
2.837
|
|||||
| PDB ID: 3FJL Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 3 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [40] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR 245 RVHRPAVLVK255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG 295 ALRSETGGLS305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK 345 IRAGASLVQL355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR 395 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.395
ALA96
2.710
GLY97
3.143
LYS100
2.949
GLU117
4.924
GLY119
3.640
SER120
2.864
VAL134
4.647
VAL143
4.240
ASN145
3.363
TYR147
3.615
PHE149
4.402
ASN181
2.885
ASN212
3.110
LYS255
2.853
|
|||||
| PDB ID: 3F1Q Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR 245 RVHRPAVLVK255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG 295 ALRSETGGLS305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK 345 IRAGASLVQL355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR 395 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.404
ALA96
2.663
GLY97
3.113
LYS100
2.917
GLU117
4.948
GLY119
3.606
SER120
2.781
VAL134
4.697
VAL143
4.402
ASN145
3.272
TYR147
3.685
PHE149
4.376
ASN181
2.916
ASN212
3.195
LYS255
2.779
|
|||||
| PDB ID: 3G0U Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPFQD75 SDMLEVRVLG85 HKFRNPVGIA 95 AGFDKHGEAV105 DGLYKMGFGF115 VEIGSVTPKP125 QEGNPRPRVF135 RLPEDQAVIN 145 RYGFNSHGLS155 VVEHRLRARQ165 QKQAKLTEDG175 LPLGVNLGKN185 KTSVDAAEDY 195 AEGVRVLGPL205 ADYLVVNVSS215 PNTAGLRSLQ225 GKAELRRLLT235 KVLQERDGLR 245 RVHRPAVLVK255 IAPDLTSQDK265 EDIASVVKEL275 GIDGLIVTNT285 TVSRPAGLQG 295 ALRSETGGLS305 GKPLRDLSTQ315 TIREMYALTQ325 GRVPIIGVGG335 VSSGQDALEK 345 IRAGASLVQL355 YTALTFWGPP365 VVGKVKRELE375 ALLKEQGFGG385 VTDAIGADHR 395 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.359
ALA96
2.602
GLY97
3.103
LYS100
2.972
GLU117
4.917
GLY119
3.669
SER120
2.860
VAL134
4.696
VAL143
4.354
ASN145
3.394
TYR147
3.777
PHE149
4.439
ASN181
2.852
ASN212
3.238
LYS255
2.834
|
|||||
| PDB ID: 2PRL The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [42] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.248
ALA96
2.717
GLY97
3.104
LYS100
2.751
GLU117
4.815
GLY119
3.670
SER120
2.825
VAL134
4.606
VAL143
4.447
ASN145
3.369
TYR147
3.582
PHE149
4.330
ASN181
2.773
ASN212
3.145
LYS255
2.850
|
|||||
| PDB ID: 2BXV Dual binding mode of a novel series of DHODH inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [2] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLG226 KAELRRLLTK236 VLQERDGLRR 246 VHRPAVLVKI256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA 296 LRSETGGLSG306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI 346 RAGASLVQLY356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHRR 396
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.250
ALA96
2.672
GLY97
3.123
LYS100
2.809
GLU117
4.912
GLY119
3.560
SER120
2.859
VAL134
4.327
VAL143
4.119
ASN145
3.286
TYR147
3.617
PHE149
4.329
ASN181
2.835
ASN212
3.243
LYS255
2.807
|
|||||
| PDB ID: 2PRH The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [42] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPGKA228 ELRRLLTKVL238 QERDGLRRVH 248 RPAVLVKIAP258 DLTSQDKEDI268 ASVVKELGID278 GLIVTNTTVS288 RPAGLQGALR 298 SETGGLSGKP308 LRDLSTQTIR318 EMYALTQGRV328 PIIGVGGVSS338 GQDALEKIRA 348 GASLVQLYTA358 LTFWGPPVVG368 KVKRELEALL378 KEQGFGGVTD388 AIGADHRR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.280
ALA96
2.692
GLY97
3.170
LYS100
2.789
GLU117
4.891
GLY119
3.559
SER120
2.906
VAL134
4.279
VAL143
4.402
ASN145
3.245
TYR147
3.682
PHE149
4.773
ASN181
3.029
ASN212
3.033
LYS255
2.962
|
|||||
| PDB ID: 2PRM The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [42] |
| PDB Sequence |
MATGDERFYA
39 EHLMPTLQGL49 LDPESAHRLA59 VRFTSLGLLP69 RARFQDSDML79 EVRVLGHKFR 89 NPVGIAAGFD99 KHGEAVDGLY109 KMGFGFVEIG119 SVTPKPQEGN129 PRPRVFRLPE 139 DQAVINRYGF149 NSHGLSVVEH159 RLRARQQKQA169 KLTEDGLPLG179 VNLGKNKTSV 189 DAAEDYAEGV199 RVLGPLADYL209 VVNVSSPNTA219 GLRSLQGKAE229 LRRLLTKVLQ 239 ERDGLRRVHR249 PAVLVKIAPD259 LTSQDKEDIA269 SVVKELGIDG279 LIVTNTTVSR 289 PAGLQGALRS299 ETGGLSGKPL309 RDLSTQTIRE319 MYALTQGRVP329 IIGVGGVSSG 339 QDALEKIRAG349 ASLVQLYTAL359 TFWGPPVVGK369 VKRELEALLK379 EQGFGGVTDA 389 IGADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.840
ALA96
2.602
GLY97
3.171
LYS100
2.858
GLU117
4.966
GLY119
4.232
SER120
2.736
VAL134
4.493
VAL143
4.300
ASN145
3.475
TYR147
3.720
PHE149
4.510
ASN181
2.814
ASN212
3.280
LYS255
2.674
|
|||||
| PDB ID: 6QU7 Crystal structure of human DHODH in complex with BAY 2402234 | ||||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [43] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 AFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSGKAELRRL233 LTKVLQERDG 243 LRRVHRPAVL253 VKIAPDLTSQ263 DKEDIASVVK273 ELGIDGLIVT283 NTTVSRPAGL 293 QGALRSETGG303 LSGKPLRDLS313 TQTIREMYAL323 TQGRVPIIGV333 GGVSSGQDAL 343 EKIRAGASLV353 QLYTALTFWG363 PPVVGKVKRE373 LEALLKEQGF383 GGVTDAIGAD 393 HRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.887
ALA95
3.331
ALA96
2.702
GLY97
3.075
LYS100
2.845
GLU117
4.965
GLY119
3.698
SER120
2.852
VAL134
4.813
VAL143
4.399
ASN145
3.308
TYR147
3.605
PHE149
4.202
ASN181
2.927
ASN212
3.068
LYS255
2.821
|
|||||
| PDB ID: 6J3B Crystal structure of human DHODH in complex with inhibitor 1289 | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [44] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
2.024
ALA96
2.678
GLY97
2.504
LYS100
2.114
GLU117
4.943
GLY119
3.703
SER120
1.768
VAL134
3.376
VAL143
3.054
ASN145
2.494
TYR147
2.300
PHE149
3.231
ASN181
2.385
ASN212
2.639
LYS255
1.790
THR283
2.377
|
|||||
| PDB ID: 6JMD Crystal structure of human DHODH in complex with inhibitor 1223 | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [45] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
2.100
ALA96
2.696
GLY97
2.487
LYS100
2.145
GLU117
4.942
GLY119
3.715
SER120
1.822
VAL134
3.444
VAL143
2.961
ASN145
2.510
TYR147
2.408
PHE149
3.221
ASN181
2.378
ASN212
2.572
LYS255
1.715
THR283
2.395
|
|||||
| PDB ID: 6LP6 Crystal structure of human DHODH in complex with inhibitor 1214 | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [45] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:98 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:303 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
3.866
ALA95
2.058
ALA96
2.684
GLY97
2.395
PHE98
4.974
LYS100
2.190
GLU117
4.996
GLY119
3.786
SER120
1.744
VAL134
3.577
VAL143
3.058
ASN145
2.491
TYR147
2.497
PHE149
3.307
ASN181
2.556
ASN212
2.193
LYS255
1.720
THR283
2.378
|
|||||
| PDB ID: 6LP8 Crystal structure of human DHODH in complex with inhibitor 1243 | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [45] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:98 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:303 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
3.805
ALA95
2.031
ALA96
2.672
GLY97
2.386
PHE98
4.928
LYS100
2.088
GLU117
4.980
GLY119
3.731
SER120
1.757
VAL134
3.551
VAL143
3.044
ASN145
2.509
TYR147
2.509
PHE149
3.322
ASN181
2.599
ASN212
2.182
LYS255
1.749
THR283
2.338
|
|||||
| PDB ID: 6JME Crystal structure of human DHODH in complex with inhibitor 0946 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [45] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPR70 ARFQDSDMLE80 VRVLGHKFRN 90 PVGIAAGFDK100 HGEAVDGLYK110 MGFGFVEIGS120 VTPKPQEGNP130 RPRVFRLPED 140 QAVINRYGFN150 SHGLSVVEHR160 LRARQQKQAK170 LTEDGLPLGV180 NLGKNKTSVD 190 AAEDYAEGVR200 VLGPLADYLV210 VNVSSPNTAG220 LRSLQGKAEL230 RRLLTKVLQE 240 RDGLRRVHRP250 AVLVKIAPDL260 TSQDKEDIAS270 VVKELGIDGL280 IVTNTTVSRP 290 AGLQGALRSE300 TGGLSGKPLR310 DLSTQTIREM320 YALTQGRVPI330 IGVGGVSSGQ 340 DALEKIRAGA350 SLVQLYTALT360 FWGPPVVGKV370 KRELEALLKE380 QGFGGVTDAI 390 GADHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.002
ALA95
2.062
ALA96
2.665
GLY97
2.469
LYS100
2.093
GLU117
4.976
GLY119
3.719
SER120
1.803
VAL134
3.433
VAL143
3.016
ASN145
2.562
TYR147
2.342
PHE149
3.236
ASN181
2.404
ASN212
2.633
LYS255
1.770
|
|||||
| PDB ID: 6LP7 Crystal structure of human DHODH in complex with inhibitor 0944 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [45] |
| PDB Sequence |
GDERFYAEHL
42 MPTLQGLLDP52 ESAHRLAVRF62 TSLGLLPRAR72 FQDSDMLEVR82 VLGHKFRNPV 92 GIAAGFDKHG102 EAVDGLYKMG112 FGFVEIGSVT122 PKPQEGNPRP132 RVFRLPEDQA 142 VINRYGFNSH152 GLSVVEHRLR162 ARQQKQAKLT172 EDGLPLGVNL182 GKNKTSVDAA 192 EDYAEGVRVL202 GPLADYLVVN212 VSSPNTAGLR222 SLQGKAELRR232 LLTKVLQERD 242 GLRRVHRPAV252 LVKIAPDLTS262 QDKEDIASVV272 KELGIDGLIV282 TNTTVSRPAG 292 LQGALRSETG302 GLSGKPLRDL312 STQTIREMYA322 LTQGRVPIIG332 VGGVSSGQDA 342 LEKIRAGASL352 VQLYTALTFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358 or .A:360; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.835
ALA95
2.023
ALA96
2.649
GLY97
2.497
LYS100
2.147
GLY119
3.760
SER120
1.786
VAL134
3.659
VAL143
3.035
ASN145
2.535
TYR147
2.331
PHE149
3.168
ASN181
2.409
ASN212
2.699
LYS255
1.794
THR283
2.359
|
|||||
| PDB ID: 6J3C Crystal structure of human DHODH in complex with inhibitor 1291 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [44] |
| PDB Sequence |
ATGDERFYAE
40 HLMPTLQGLL50 DPESAHRLAV60 RFTSLGLLPF73 QDSDMLEVRV83 LGHKFRNPVG 93 IAAGFDKHGE103 AVDGLYKMGF113 GFVEIGSVTP123 KPQEGNPRPR133 VFRLPEDQAV 143 INRYGFNSHG153 LSVVEHRLRA163 RQQKQAKLTE173 DGLPLGVNLG183 KNKTSVDAAE 193 DYAEGVRVLG203 PLADYLVVNV213 SSPNTAGLRS223 LQGKAELRRL233 LTKVLQERDG 243 LRRVHRPAVL253 VKIAPDLTSQ263 DKEDIASVVK273 ELGIDGLIVT283 NTTVSRPAGL 293 QGALRSETGG303 LSGKPLRDLS313 TQTIREMYAL323 TQGRVPIIGV333 GGVSSGQDAL 343 EKIRAGASLV353 QLYTALTFWG363 PPVVGKVKRE373 LEALLKEQGF383 GGVTDAIGAD 393 HRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:303 or .A:304 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
3.752
ALA95
2.050
ALA96
2.631
GLY97
2.470
LYS100
2.169
GLU117
4.949
GLY119
3.723
SER120
1.738
VAL134
3.566
VAL143
3.062
ASN145
2.496
TYR147
2.462
PHE149
3.160
ASN181
2.340
ASN212
2.396
LYS255
1.732
THR283
2.336
|
|||||
| PDB ID: 7Z6C Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide. | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [46] |
| PDB Sequence |
ATGDERFYAE
39 HLMPTLQGLL49 DPESAHRLAV59 RFTSLGLLPR69 ARFQDSDMLE79 VRVLGHKFRN 89 PVGIAAGFDK99 HGEAVDGLYK109 MGFGFVEIGS119 VTPKPQEGNP129 RPRVFRLPED 139 QAVINRYGFN149 SHGLSVVEHR159 LRARQQKQAK169 LTEDGLPLGV179 NLGKNKTSVD 189 AAEDYAEGVR199 VLGPLADYLV209 VNVSSPNTAG219 LRSLQGKAEL229 RRLLTKVLQE 239 RDGLRRVHRP249 AVLVKIAPDL259 TSQDKEDIAS269 VVKELGIDGL279 IVTNTTVSRP 289 AGLQGALRSE299 TGGLSGKPLR309 DLSTQTIREM319 YALTQGRVPI329 IGVGGVSSGQ 339 DALEKIRAGA349 SLVQLYTALT359 FWGPPVVGKV369 KRELEALLKE379 QGFGGVTDAI 389 GADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:55 or .A:94 or .A:95 or .A:96 or .A:99 or .A:118 or .A:119 or .A:133 or .A:142 or .A:144 or .A:146 or .A:148 or .A:180 or .A:211 or .A:254 or .A:282 or .A:283 or .A:284 or .A:304 or .A:305 or .A:308 or .A:332 or .A:333 or .A:334 or .A:335 or .A:353 or .A:354 or .A:355 or .A:356 or .A:357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS55
4.592
ALA94
3.334
ALA95
1.896
GLY96
3.196
LYS99
2.854
GLY118
3.744
SER119
1.864
VAL133
4.108
VAL142
3.303
ASN144
2.948
TYR146
2.828
PHE148
4.120
ASN180
3.017
ASN211
3.113
LYS254
2.786
|
|||||
| PDB ID: 5MUT Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [14] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPFQ74 DSDMLEVRVL84 GHKFRNPVGI 94 AAGFDKHGEA104 VDGLYKMGFG114 FVEIGSVTPK124 PQEGNPRPRV134 FRLPEDQAVI 144 NRYGFNSHGL154 SVVEHRLRAR164 QQKQAKLTED174 GLPLGVNLGK184 NKTSVDAAED 194 YAEGVRVLGP204 LADYLVVNVG226 KAELRRLLTK236 VLQERDGLRR246 VHRPAVLVKI 256 APDLTSQDKE266 DIASVVKELG276 IDGLIVTNTT286 VSRPAGLQGA296 LRSETGGLSG 306 KPLRDLSTQT316 IREMYALTQG326 RVPIIGVGGV336 SSGQDALEKI346 RAGASLVQLY 356 TALTFWGPPV366 VGKVKRELEA376 LLKEQGFGGV386 TDAIGADHRR396 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.249
ALA96
2.679
GLY97
3.364
LYS100
2.759
GLU117
4.923
GLY119
3.692
SER120
2.744
VAL134
4.601
VAL143
4.455
ASN145
3.396
TYR147
3.621
PHE149
4.454
ASN181
2.935
ASN212
3.086
LYS255
2.857
|
|||||
| PDB ID: 2WV8 Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [47] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTALTF361 WGPPVVGKVK371 RELEALLKEQ381 GFGGVTDAIG 391 ADHRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.298
ALA96
2.712
GLY97
3.161
LYS100
2.804
GLU117
4.934
GLY119
3.104
SER120
2.885
VAL134
4.340
VAL143
4.285
ASN145
3.359
TYR147
3.714
PHE149
4.231
ASN181
2.869
ASN212
3.355
LYS255
2.821
|
|||||
| PDB ID: 6LZL Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [48] |
| PDB Sequence |
TGDERFYAEH
41 LMPTLQGLLD51 PESAHRLAVR61 FTSLGLLPRA71 RFQDSDMLEV81 RVLGHKFRNP 91 VGIAAGFDKH101 GEAVDGLYKM111 GFGFVEIGSV121 TPKPQEGNPR131 PRVFRLPEDQ 141 AVINRYGFNS151 HGLSVVEHRL161 RARQQKQAKL171 TEDGLPLGVN181 LGKNKTSVDA 191 AEDYAEGVRV201 LGPLADYLVV211 NVSSPNTAGL221 RSLQGKAELR231 RLLTKVLQER 241 DGLRRVHRPA251 VLVKIAPDLT261 SQDKEDIASV271 VKELGIDGLI281 VTNTTVSRPA 291 GLQGALRSET301 GGLSGKPLRD311 LSTQTIREMY321 ALTQGRVPII331 GVGGVSSGQD 341 ALEKIRAGAS351 LVQLYTATFW362 GPPVVGKVKR372 ELEALLKEQG382 FGGVTDAIGA 392 DHRR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:56 or .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS56
4.821
ALA95
3.398
ALA96
2.656
GLY97
3.157
LYS100
2.819
GLU117
4.900
GLY119
3.698
SER120
2.881
VAL134
4.190
VAL143
4.197
ASN145
3.394
TYR147
3.779
PHE149
4.373
ASN181
2.931
ASN212
3.088
LYS255
2.788
|
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| PDB ID: 5MVD Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [14] |
| PDB Sequence |
DERFYAEHLM
43 PTLQGLLDPE53 SAHRLAVRFT63 SLGLLPDSDM78 LEVRVLGHKF88 RNPVGIAAGF 98 DKHGEAVDGL108 YKMGFGFVEI118 GSVTPKPQEG128 NPRPRVFRLP138 EDQAVINRYG 148 FNSHGLSVVE158 HRLRARQQKQ168 AKLTEDGLPL178 GVNLGKNKTS188 VDAAEDYAEG 198 VRVLGPLADY208 LVVNVSSPKA228 ELRRLLTKVL238 QERDGLRRVH248 RPAVLVKIAP 258 DLTSQDKEDI268 ASVVKELGID278 GLIVTNTTVS288 RPAGLQGALR298 SETGGLSGKP 308 LRDLSTQTIR318 EMYALTQGRV328 PIIGVGGVSS338 GQDALEKIRA348 GASLVQLYTA 358 LTFWGPPVVG368 KVKRELEALL378 KEQGFGGVTD388 AIGADHRR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:100 or .A:117 or .A:119 or .A:120 or .A:134 or .A:143 or .A:145 or .A:147 or .A:149 or .A:181 or .A:212 or .A:255 or .A:283 or .A:284 or .A:285 or .A:305 or .A:306 or .A:309 or .A:333 or .A:334 or .A:335 or .A:336 or .A:354 or .A:355 or .A:356 or .A:357 or .A:358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA95
3.330
ALA96
2.678
GLY97
3.325
LYS100
2.728
GLU117
4.923
GLY119
3.675
SER120
2.740
VAL134
4.480
VAL143
4.387
ASN145
3.423
TYR147
3.711
PHE149
4.343
ASN181
2.792
ASN212
3.172
LYS255
2.849
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J Med Chem. 2018 Jul 26;61(14):6034-6055. | ||||
| REF 2 | Dual binding mode of a novel series of DHODH inhibitors. J Med Chem. 2006 Feb 23;49(4):1239-47. | ||||
| REF 3 | Biaryl analogues of teriflunomide as potent DHODH inhibitors. Bioorg Med Chem Lett. 2011 Dec 15;21(24):7268-72. | ||||
| REF 4 | Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1610-5. | ||||
| REF 5 | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF | ||||
| REF 6 | Crystal structure of human DHODH with 18F | ||||
| REF 7 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound | ||||
| REF 8 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T | ||||
| REF 9 | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol. 2018 Sep 4;9:997. | ||||
| REF 10 | Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097 | ||||
| REF 11 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | ||||
| REF 12 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | ||||
| REF 13 | Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1981-4. | ||||
| REF 14 | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem. 2017 Mar 31;129:287-302. | ||||
| REF 15 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution | ||||
| REF 16 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue | ||||
| REF 17 | Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 | ||||
| REF 18 | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target. Genes (Basel). 2020 Dec 7;11(12):1468. | ||||
| REF 19 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 | ||||
| REF 20 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 | ||||
| REF 21 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 | ||||
| REF 22 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 | ||||
| REF 23 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 | ||||
| REF 24 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072 | ||||
| REF 25 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 | ||||
| REF 26 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 | ||||
| REF 27 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 | ||||
| REF 28 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | ||||
| REF 29 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 | ||||
| REF 30 | Fluorine modulates species selectivity in the triazolopyrimidine class of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors. J Med Chem. 2014 Jun 26;57(12):5381-94. | ||||
| REF 31 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J Med Chem. 2018 Jun 28;61(12):5162-5186. | ||||
| REF 32 | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS Med Chem Lett. 2013 Jun 13;4(6):517-521. | ||||
| REF 33 | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism. Cell Chem Biol. 2020 Feb 20;27(2):197-205.e6. | ||||
| REF 34 | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar. Bioorg Med Chem Lett. 2020 Nov 15;30(22):127589. | ||||
| REF 35 | N-Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J Med Chem. 2022 Aug 25;65(16):11241-11256. | ||||
| REF 36 | Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase. Mol Cancer Ther. 2020 Dec;19(12):2502-2515. | ||||
| REF 37 | Factors influencing the specificity of inhibitor binding to the human and malaria parasite dihydroorotate dehydrogenases. J Med Chem. 2012 Jun 28;55(12):5841-50. | ||||
| REF 38 | Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure. 2000 Jan 15;8(1):25-33. | ||||
| REF 39 | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nat Commun. 2018 Mar 16;9(1):1107. | ||||
| REF 40 | Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. J Med Chem. 2009 May 14;52(9):2683-93. | ||||
| REF 41 | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology. J Biol Chem. 2020 Dec 25;295(52):17935-17949. | ||||
| REF 42 | The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites. Biochemistry. 2008 Aug 26;47(34):8929-36. | ||||
| REF 43 | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. Leukemia. 2019 Oct;33(10):2403-2415. | ||||
| REF 44 | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in?vitro screening: inhibition activity and crystallographic binding mode. FEBS Open Bio. 2019 Aug;9(8):1348-1354. | ||||
| REF 45 | Bifunctional Naphtho[2,3-d][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J Med Chem. 2020 Jul 23;63(14):7633-7652. | ||||
| REF 46 | Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5-a]pyridine Scaffold: SAR of the Aryloxyaryl Moiety. J Med Chem. 2022 Oct 13;65(19):12701-12724. | ||||
| REF 47 | Inhibition of human DHODH by 4-hydroxycoumarins, fenamic acids, and N-(alkylcarbonyl)anthranilic acids identified by structure-guided fragment selection. ChemMedChem. 2010 Apr 6;5(4):608-17. | ||||
| REF 48 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | ||||
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