Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T05409 | Target Info | |||
| Target Name | Neutral endopeptidase (MME) | ||||
| Synonyms | Skin fibroblast elastase; SFE; Neutral endopeptidase 24.11; Neprilysin; NEP protein; Enkephalinase; EPN; Common acute lymphocytic leukemia antigen; CD10; CALLA; Atriopeptidase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MME | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphoramidon | Ligand Info | |||
| Canonical SMILES | CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O | ||||
| InChI | 1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 | ||||
| InChIKey | ZPHBZEQOLSRPAK-XLCYBJAPSA-N | ||||
| PubChem Compound ID | 445114 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4CTH Neprilysin variant G399V,G714K in complex with phosphoramidon | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
DGICKSSDCI
62 KSAARLIQNM72 DATTEPCTDF82 FKYACGGWLK92 RNVIPETSSR102 YGNFDILRDE 112 LEVVLKDVLQ122 EPKTEDIVAV132 QKAKALYRSC142 INESAIDSRG152 GEPLLKLLPD 162 IYGWPVATEN172 WEQKYGASWT182 AEKAIAQLNS192 KYGKKVLINL202 FVGTDDKNSV 212 NHVIHIDQPR222 LGLPSRDYYE232 CTGIYKEACT242 AYVDFMISVA252 RLIRQEERLP 262 IDENQLALEM272 NKVMELEKEI282 ANATAKPEDR292 NDPMLLYNKM302 TLAQIQNNFS 312 LEINGKPFSW322 LNFTNEIMST332 VNISITNEED342 VVVYAPEYLT352 KLKPILTKYS 362 ARDLQNLMSW372 RFIMDLVSSL382 SRTYKESRNA392 FRKALYVTTS402 ETATWRRCAN 412 YVNGNMENAV422 GRLYVEAAFA432 GESKHVVEDL442 IAQIREVFIQ452 TLDDLTWMDA 462 ETKKRAEEKA472 LAIKERIGYP482 DDIVSNDNKL492 NNEYLELNYK502 EDEYFENIIQ 512 NLKFSQSKQL522 KKLREKVDKD532 EWISGAAVVN542 AFYSSGRNQI552 VFPAGILQPP 562 FFSAQQSNSL572 NYGGIGMVIG582 HEITHGFDDN592 GRNFNKDGDL602 VDWWTQQSAS 612 NFKEQSQCMV622 YQYGNFSWDL632 AGGQHLNGIN642 TLGENIADNG652 GLGQAYRAYQ 662 NYIKKNGEEK672 LLPGLDLNHK682 QLFFLNFAQV692 WCGTYRPEYA702 VNSIKTDVHS 712 PKNFRIIGTL722 QNSAEFSEAF732 HCRKNSYMNP742 EKKCRVW
|
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|
ASN105
4.593
PHE106
3.485
VAL541
2.846
ASN542
3.004
ALA543
3.055
PHE544
3.798
TYR545
4.396
ILE558
3.550
PHE563
3.479
MET579
4.826
|
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| PDB ID: 1DMT STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
GICKSSDCIK
63 SAARLIQNMD73 ATTEPCTDFF83 KYACGGWLKR93 NVIPETSSRY103 GNFDILRDEL 113 EVVLKDVLQE123 PKTEDIVAVQ133 KAKALYRSCI143 NESAIDSRGG153 EPLLKLLPDI 163 YGWPVATENW173 EQKYGASWTA183 EKAIAQLNSK193 YGKKVLINLF203 VGTDDKNSVN 213 HVIHIDQPRL223 GLPSRDYYEC233 TGIYKEACTA243 YVDFMISVAR253 LIRQEERLPI 263 DENQLALEMN273 KVMELEKEIA283 NATAKPEDRN293 DPMLLYNKMT303 LAQIQNNFSL 313 EINGKPFSWL323 NFTNEIMSTV333 NISITNEEDV343 VVYAPEYLTK353 LKPILTKYSA 363 RDLQNLMSWR373 FIMDLVSSLS383 RTYKESRNAF393 RKALYGTTSE403 TATWRRCANY 413 VNGNMENAVG423 RLYVEAAFAG433 ESKHVVEDLI443 AQIREVFIQT453 LDDLTWMDAE 463 TKKRAEEKAL473 AIKERIGYPD483 DIVSNDNKLN493 NEYLELNYKE503 DEYFENIIQN 513 LKFSQSKQLK523 KLREKVDKDE533 WISGAAVVNA543 FYSSGRNQIV553 FPAGILQPPF 563 FSAQQSNSLN573 YGGIGMVIGH583 EITHGFDDNG593 RNFNKDGDLV603 DWWTQQSASN 613 FKEQSQCMVY623 QYGNFSWDLA633 GGQHLNGINT643 LGENIADNGG653 LGQAYRAYQN 663 YIKKNGEEKL673 LPGLDLNHKQ683 LFFLNFAQVW693 CGTYRPEYAV703 NSIKTDVHSP 713 GNFRIIGTLQ723 NSAEFSEAFH733 CRKNSYMNPE743 KKCRVW
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ARG102
3.594
PHE106
3.387
ASP107
4.119
ARG110
3.487
VAL541
2.835
ASN542
3.112
ALA543
2.894
PHE544
3.530
TYR545
4.431
ILE558
3.301
PHE563
4.107
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Engineering neprilysin activity and specificity to create a novel therapeutic for Alzheimer's disease. PLoS One. 2014 Aug 4;9(8):e104001. | ||||
| REF 2 | Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon. J Mol Biol. 2000 Feb 18;296(2):341-9. | ||||
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