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 | 4-(4-Benzylphenyl)-1,3-thiazol-2-amine | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC(=N3)N | ||||
| InChI | 1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) | ||||
| InChIKey | XYDVHKCVOMGRSY-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3768902 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4MKT Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [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 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 VGKDLKVD |
|||||
|
|
GLN136
2.059
ALA137
3.794
TYR267
3.565
TRP311
3.169
ASP312
4.877
PHE314
3.150
TRP315
4.481
PHE362
2.338
THR363
4.167
LYS364
2.933
LEU365
2.833
|
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| PDB ID: 4L2L Human Leukotriene A4 Hydrolase complexed with ligand 4-(4-benzylphenyl)thiazol-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
VDTCSLASPA
13 SVCRTKHLHL23 RCSVDFTRRT33 LTGTAALTVQ43 SQEDNLRSLV53 LDTKDLTIEK 63 VVINGQEVKY73 ALGERQSYKG83 SPMEISLPIA93 LSKNQEIVIE103 ISFETSPKSS 113 ALQWLTPEQT123 SGKEHPYLFS133 QCQAIHCRAI143 LPCQDTPSVK153 LTYTAEVSVP 163 KELVALMSAI173 RDGETPDPED183 PSRKIYKFIQ193 KVPIPCYLIA203 LVVGALESRQ 213 IGPRTLVWSE223 KEQVEKSAYE233 FSETESMLKI243 AEDLGGPYVW253 GQYDLLVLPP 263 SFPYGGMENP273 CLTFVTPTLL283 AGDKSLSNVI293 AHEISHSWTG303 NLVTNKTWDH 313 FWLNEGHTVY323 LERHICGRLF333 GEKFRHFNAL343 GGWGELQNSV353 KTFGETHPFT 363 KLVVDLTDID373 PDVAYSSVPY383 EKGFALLFYL393 EQLLGGPEIF403 LGFLKAYVEK 413 FSYKSITTDD423 WKDFLYSYFK433 DKVDVLNQVD443 WNAWLYSPGL453 PPIKPNYDMT 463 LTNACIALSQ473 RWITAKEDDL483 NSFNATDLKD493 LSSHQLNEFL503 AQTLQRAPLP 513 LGHIKRMQEV523 YNFNAINNSE533 IRFRWLRLCI543 QSKWEDAIPL553 ALKMATEQGR 563 MKFTRPLFKD573 LAAFDKSHDQ583 AVRTYQEHKA593 SMHPVTAMLV603 GKDLKVD |
|||||
|
|
GLN136
3.499
ALA137
3.762
TYR267
3.540
TRP311
3.217
ASP312
4.676
PHE314
3.457
TRP315
4.662
PRO361
4.821
PHE362
2.673
THR363
4.247
LYS364
2.749
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc Natl Acad Sci U S A. 2014 Mar 18;111(11):4227-32. | ||||
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