2026-08-29_00000211|ligand|9WEB

Plasmodium vivax aspartyl-tRNA synthetase in complex with AMP, Pyrophosphate, MOPSO and Hexanetriol; X-ray diffraction 2.54Å
Protein #1 536 residues (94% resolved)

AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP

AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP
Non polymer #2 1JW

InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1

C(CCO)C[C@@H](CO)O
Non polymer #3 6BY

InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1

C1COCCN1C[C@H](CS(=O)(=O)O)O
Non polymer #4 AMP

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
Non polymer #5 CL

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

[Cl-]
Non polymer #6 PPV

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

OP(=O)(O)OP(=O)(O)O
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Reference