2026-08-29_00000221|ligand|9WEL

Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, Mg ion, Ethylene glycols and Unit cell contraction due to data collected outside the cryo loop; X-ray diffraction 2.20Å
Protein #1 536 residues (94% resolved)

AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP

AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP
Non polymer #2 BME

InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2

C(CS)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 DSZ

InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 PEG

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

C(COCCO)O
Non polymer #7 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
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Reference