Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46318 | Target Info | |||
| Target Name | Acyloxyacyl hydrolase (neutrophil) | ||||
| Synonyms | Acyloxyacyl hydrolase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | AOAH | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Lauric acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) | ||||
| InChIKey | POULHZVOKOAJMA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3893 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5W7C Human acyloxyacyl hydrolase (AOAH), proteolytically processed, S263A mutant, with LPS | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSDICSLPVL
165 AKICQKIKLA175 MEQSVPFKDV185 DSDKYSVFPT195 LRGYHWRGRD205 CNDSDESVYP 215 GRRPNNWDVH225 QDSNCNGIWG235 VDPKDGVPYE245 KKFCEGSQPR255 GIILLGDAAG 265 AHFHISPEWI275 TASQMSLNSF285 INLPTALTNE295 LDWPQLSGAT305 GFLDSTVGIK 315 EKSIYLRLWK325 RNHCNHRDYQ335 NISRNGASSR345 NLKKFIESLS355 RNKVLDYPAI 365 VIYAMIGNDV375 CSGKSDPVPA385 MTTPEKLYSN395 VMQTLKHLNS405 HLPNGSHVIL 415 YGLPDGTFLW425 DNLHNRYHPL435 GQLNKDMTYA445 QLYSFLNCLQ455 VSPCHGWMSS 465 NKTLRTLTSE475 RAEQLSNTLK485 KIAASEKFTN495 FNLFYMDFAF505 HEIIQEWQKR 515 GGQPWQLIEP525 VDGFHPNEVA535 LLLLADHFWK545 KVQLQWPQIL555 GKENPFNPQI 565 KQVFGDQGGH575
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ASP262
2.975
ALA263
2.888
ALA264
2.293
GLY265
4.628
PHE268
4.798
ASN340
2.687
GLY341
3.613
ILE371
2.367
GLY372
2.693
ASN373
2.327
CYS376
3.220
PRO419
2.435
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| PDB ID: 5W78 Human acyloxyacyl hydrolase (AOAH), proteolytically processed | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
LSNGHTCVGC 44 VLVVSVIEQL54 AQVHNSTVQA64 SMERLCSYLP74 EKLFLKTTCY84 LVIDKFGSDI 94 IKLLSADMNA104 DVVCHTLEFC114 KQNTGQPLCH124 LYPLPKETWK134 FTLQKARQIV 144 KKSPILKY> Chain B DICSLPVLAK 167 ICQKIKLAME177 QSVFPTLRGY199 HWRGRDCNDS209 DESVYPGRRP219 NNWDVHQDSN 229 CNGIWGVDPK239 DGVPYEKKFC249 EGSQPRGIIL259 LGDSAGAHFH269 ISPEWITASQ 279 MSLNSFINLP289 TALTNELDWP299 QLSGATGFLD309 STVGIKEKSI319 YLRLWKRNHC 329 NHRDYQNISR339 NGASSRNLKK349 FIESLSRNKV359 LDYPAIVIYA369 MIGNDVCSGK 379 SDPVPAMTTP389 EKLYSNVMQT399 LKHLNSHLPN409 GSHVILYGLP419 DGTFLWDNLH 429 NRYHPLGQLN439 KDMTYAQLYS449 FLNCLQVSPC459 HGWMSSNKTL469 RTLTSERAEQ 479 LSNTLKKIAA489 SEKFTNFNLF499 YMDFAFHEII509 QEWQKRGGQP519 WQLIEPVDGF 529 HPNEVALLLL539 ADHFWKKVQL549 QWPQILGKEN559 PFNPQIKQVF569 GDQGGH |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc Natl Acad Sci U S A. 2018 Jan 30;115(5):E896-E905. | ||||
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