Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03691 | Target Info | |||
| Target Name | Leukotriene A-4 hydrolase (LTA4H) | ||||
| Synonyms | Leukotriene A4 hydrolase; Leukotriene A(4)Leukotriene A-4 hydrolase hydrolase; Leukotriene A(4) hydrolase; LTA4; LTA-H; LTA-4hydrolase; LTA-4 hydrolase | ||||
| Target Type | Successful Target | ||||
| Gene Name | LTA4H | ||||
| Biochemical Class | Ether bond hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | LTA4 | Ligand Info | |||
| Canonical SMILES | CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)O | ||||
| InChI | 1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1 | ||||
| InChIKey | UFPQIRYSPUYQHK-WAQVJNLQSA-N | ||||
| PubChem Compound ID | 5280383 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5NI2 Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I) | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMAN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKV |
|||||
|
|
GLN134
2.550
GLN136
2.678
ALA137
2.569
HIS139
4.798
PHE265
4.983
TYR267
2.169
GLY268
2.309
GLY269
1.956
MET270
2.233
ALA271
3.898
VAL292
3.787
HIS295
3.034
GLU296
2.328
HIS299
3.457
ASN308
4.996
|
|||||
| PDB ID: 5NI6 Crystal structure of human LTA4H mutant D375N in complex with LTA4 | ||||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMEN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPNVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKVD |
|||||
|
|
GLN134
4.151
GLN136
2.706
ALA137
2.231
PRO266
4.832
TYR267
2.266
GLY268
2.135
GLY269
2.079
MET270
3.138
GLU271
3.846
VAL292
3.726
HIS295
3.478
GLU296
2.478
HIS299
4.076
TRP311
2.870
ASP312
4.281
PHE314
2.104
TRP315
3.941
|
|||||
| PDB ID: 5NI4 Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form II) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
IVDTCSLASP
12 ASVCRTKHLH22 LRCSVDFTRR32 TLTGTAALTV42 QSQEDNLRSL52 VLDTKDLTIE 62 KVVINGQEVK72 YALGERQSYK82 GSPMEISLPI92 ALSKNQEIVI102 EISFETSPKS 112 SALQWLTPEQ122 TSGKEHPYLF132 SQCQAIHCRA142 ILPCQDTPSV152 KLTYTAEVSV 162 PKELVALMSA172 IRDGETPDPE182 DPSRKIYKFI192 QKVPIPCYLI202 ALVVGALESR 212 QIGPRTLVWS222 EKEQVEKSAY232 EFSETESMLK242 IAEDLGGPYV252 WGQYDLLVLP 262 PSFPYGGMAN272 PCLTFVTPTL282 LAGDKSLSNV292 IAHEISHSWT302 GNLVTNKTWD 312 HFWLNEGHTV322 YLERHICGRL332 FGEKFRHFNA342 LGGWGELQNS352 VKTFGETHPF 362 TKLVVDLTDI372 DPDVAYSSVP382 YEKGFALLFY392 LEQLLGGPEI402 FLGFLKAYVE 412 KFSYKSITTD422 DWKDFLYSYF432 KDKVDVLNQV442 DWNAWLYSPG452 LPPIKPNYDM 462 TLTNACIALS472 QRWITAKEDD482 LNSFNATDLK492 DLSSHQLNEF502 LAQTLQRAPL 512 PLGHIKRMQE522 VYNFNAINNS532 EIRFRWLRLC542 IQSKWEDAIP552 LALKMATEQG 562 RMKFTRPLFK572 DLAAFDKSHD582 QAVRTYQEHK592 ASMHPVTAML602 VGKDLKV |
|||||
|
|
GLN134
3.865
GLN136
2.602
ALA137
2.416
ILE138
4.950
TYR267
2.494
GLY268
2.303
GLY269
2.495
MET270
2.288
ALA271
4.947
VAL292
4.270
HIS295
3.109
GLU296
2.818
HIS299
3.848
TRP311
2.742
ASP312
3.580
PHE314
2.240
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Capturing LTA(4) hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB(4) synthesis. Proc Natl Acad Sci U S A. 2017 Sep 5;114(36):9689-9694. | ||||
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