2025-09-13_00000205|ligand|9SH8

Thermus thermophilus asparaginyl-tRNA synthetase with bound sulphamoyl-analogue of asparaginyl-adenylate (AsnAMS); X-ray diffraction 2.62Å
Protein #1 438 residues (100% resolved)

MRVFIDEIARHVDQEVELRGWLYQRRSKGKIHFLILRDGTGFLQATVVQGEVPEAVFREADHLPQETALRVWGRVREDRRAPGGFELAVRDLQVVSRPQGEYPIGPKEHGIDFLMDHRHLWLRHRRPFAVMRIRDELERAIHEFFGERGFLRFDAPILTPSAVEGTTELFEVELFDGEKAYLSQSGQLYAEAGALAFAKVYTFGPTFRAERSKTRRHLLEFWMVEPEVAFMTHEENMALQEELVSFLVARVLERRSRELEMLGRDPKALEPAAEGHYPRLTYKEAVALVNRIAQEDPEVPPLPYGEDFGAPHEAALSRRFDRPVFVERYPARIKAFYMEPDPEDPELVLNDDLLAPEGYGEIIGGSQRIHDLELLRRKIQEFGLPEEVYDWYLDLRRFGSVPHSGFGLGLERTVAWICGLAHVREAIPFPRMYTRMRP

MRVFIDEIARHVDQEVELRGWLYQRRSKGKIHFLILRDGTGFLQATVVQGEVPEAVFREADHLPQETALRVWGRVREDRRAPGGFELAVRDLQVVSRPQGEYPIGPKEHGIDFLMDHRHLWLRHRRPFAVMRIRDELERAIHEFFGERGFLRFDAPILTPSAVEGTTELFEVELFDGEKAYLSQSGQLYAEAGALAFAKVYTFGPTFRAERSKTRRHLLEFWMVEPEVAFMTHEENMALQEELVSFLVARVLERRSRELEMLGRDPKALEPAAEGHYPRLTYKEAVALVNRIAQEDPEVPPLPYGEDFGAPHEAALSRRFDRPVFVERYPARIKAFYMEPDPEDPELVLNDDLLAPEGYGEIIGGSQRIHDLELLRRKIQEFGLPEEVYDWYLDLRRFGSVPHSGFGLGLERTVAWICGLAHVREAIPFPRMYTRMRP
Non polymer #2 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #3 NSS

InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/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)N)[NH3+])O)O)N
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Reference