2026-08-29_00000219
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ligand
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9WEJ
Plasmodium vivax aspartyl-tRNA synthetase in complex with Asp-AMS, Ytterbium, MOPSO and Hexanetriol;
X-ray diffraction 2.68Å
Protein #1
536 residues (93% resolved)
Raw Sequence ...
AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP
Canonical Sequence ...
AERENLKNEATKVLEHVCEDINKESYGFVKISKMKENEKEIRLFNLEEIYHSLMKVGGSGATDGGKREDDAASHSVVAESNGAHLLQSDIWVRGRIHDIRSKGSLAFIILRHKLYSMQCILDIKHNDNDKNMMKWVSNLPLESIVDIKGKLSKPEVPIDSTNIKYEAHIRKIFCISKTAKELPFLLKDANMKETNEEGSIKVNQDNRLNNRCVDLRTYANYSIFCLQSQICTIFKNFLLENNFIEIHTPKLLGESSEGGANAFQINYFNQKGFLAQSPQLYKQMCINSGFDRVFEVAPVFRAENSNTYRHLCEYVSLDVEMTYKYDYLENVHFYDSMFKHIFTELSKGGKNEMLIKTVKGQYPCEDFQWLEETPIFTYEEAIKMLIQHGKLHLKEEEILAYDMSTDMEKELGKIVKASHHTDYYIIINFPSALRPFYTMYKEDEPAISNSYDFFMRGEEILSGSQRISDVNLLLENIKRFNLDANKLNFYIDSFAYSSYPHSGCGIGLERVLMLFLGLNNIRKTSLFPRDPKRLIP
Non polymer #2
1JW
InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
SMILES: C(CCO)C[C@@H](CO)O
C(CCO)C[C@@H](CO)O
Non polymer #3
6BX
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-/m0/s1
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-/m0/s1
SMILES: C1COCCN1C[C@@H](CS(=O)(=O)O)O
C1COCCN1C[C@@H](CS(=O)(=O)O)O
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
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
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
SMILES: 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
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 #6
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #7
YB
InChI=1S/Yb/q+3
InChI=1S/Yb/q+3
SMILES: [Yb+3]
[Yb+3]
Biounit #1
homo-dimer
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Model
Reference
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