2025-08-09_00000280|ligand|9GCZ

XusB lipoprotein bound to ferric enterobactin; X-ray diffraction 1.50Å
Protein #1 440 residues (97% resolved)

MGTQSVQKGIAITYLHVTDQIMKNRDVIRGENFLGNGEYVTFAGILEANNKIYTAPIPMGLSVYGSAFEDGKWVKYPELVKTEDGGSNSSSYEKGELQWTQYPNEAWVAIYNDENFNNPTLIRTDKISYACGRMRSQYYQTIWAADNGDVYVFSPSYAKIMDADVQKTNLPAGVVRIKAGATDFDSYYCNLEELSGGKSFLRCWHITGDYFLLQMYTGEINSRGTGATRMAVFKATGNGDKGELYYVDGLPEPDRISSFSGTPFCENGVAYVGVIPITADGETNHPAIYKIDPVTHTATKGLTVNATGITAIGRLAKDSHSTYVVSATVTSANSTANYLLATSTLESGSVTPGNNNGFETATGTAWIFYKDQYLYRLQYNQGNEGVTTAYELNTNGGIAKRSNEYTITRFTTYGIFGENIISSSAVDATFTDLEHHHHHH

MGTQSVQKGIAITYLHVTDQIMKNRDVIRGENFLGNGEYVTFAGILEANNKIYTAPIPMGLSVYGSAFEDGKWVKYPELVKTEDGGSNSSSYEKGELQWTQYPNEAWVAIYNDENFNNPTLIRTDKISYACGRMRSQYYQTIWAADNGDVYVFSPSYAKIMDADVQKTNLPAGVVRIKAGATDFDSYYCNLEELSGGKSFLRCWHITGDYFLLQMYTGEINSRGTGATRMAVFKATGNGDKGELYYVDGLPEPDRISSFSGTPFCENGVAYVGVIPITADGETNHPAIYKIDPVTHTATKGLTVNATGITAIGRLAKDSHSTYVVSATVTSANSTANYLLATSTLESGSVTPGNNNGFETATGTAWIFYKDQYLYRLQYNQGNEGVTTAYELNTNGGIAKRSNEYTITRFTTYGIFGENIISSSAVDATFTDLEHHHHHH
Non polymer #2 CIT

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Non polymer #3 DMS

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

CS(=O)C
Non polymer #4 EB4

InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1

c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O
Non polymer #5 FE

InChI=1S/Fe/q+3

[Fe+3]
Non polymer #6 NA

InChI=1S/Na/q+1

[Na+]
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Reference