2026-01-24_00000344|ligand|9YC0

Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3ab (MIPS3413); X-ray diffraction 2.37Å

Protein #1 527 residues (98% resolved)

Raw Sequence ...

ASEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNPGKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSVAVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLFRFFLETLFYEYMTDERFKSTDKNVNMEYIKHLGVYINNADTYKEEVEKARVYYFGTYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAYLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGSMIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYRPGDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGAMLYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSKYADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKGFGVRLLTEFVLNDALHHHHHH

Canonical Sequence ...

Non polymer #2 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

SMILES: C(COCCOCCOCCOCCO)O

C(COCCOCCOCCOCCO)O

Non polymer #3 2PE

InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2

SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCO)O

C(COCCOCCOCCOCCOCCOCCOCCOCCO)O

Non polymer #4 A1CT4

InChI=1S/C15H19N3O3S/c1-15(2,3)7-12(19)17-13(14(20)18-21)9-4-5-11-10(6-9)16-8-22-11/h4-6,8,13,21H,7H2,1-3H3,(H,17,19)(H,18,20)/t13-/m1/s1

SMILES: CC(C)(C)CC(=O)N[C@H](c1ccc2c(c1)ncs2)C(=O)NO

CC(C)(C)CC(=O)N[C@H](c1ccc2c(c1)ncs2)C(=O)NO

Non polymer #5 A1CT5

InChI=1S/C15H19N3O3S/c1-15(2,3)7-12(19)17-13(14(20)18-21)9-4-5-11-10(6-9)16-8-22-11/h4-6,8,13,21H,7H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1

SMILES: CC(C)(C)CC(=O)N[C@@H](c1ccc2c(c1)ncs2)C(=O)NO

CC(C)(C)CC(=O)N[C@@H](c1ccc2c(c1)ncs2)C(=O)NO

Non polymer #6 CO3

InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2

SMILES: C(=O)([O-])[O-]

C(=O)([O-])[O-]

Non polymer #7 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

SMILES: CS(=O)C

CS(=O)C

Non polymer #8 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

Non polymer #9 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 homo-hexamer

Biounit #2 homo-hexamer

Reference