2025-09-13_00000082|ligand|9HQ1

XusB lipoprotein bound to ferric salmochelin; X-ray diffraction 1.80Å
Protein #1 472 residues (90% resolved)

MKKNFLMWSFAMALLTGTLCTSCDETEGAVAPEETQSVQKGIAITYLHVTDQIMKNRDVIRGENFLGNGEYVTFAGILEANNKIYTAPIPMGLSVYGSAFEDGKWVKYPELVKTEDGGSNSSSYEKGELQWTQYPNEAWVAIYNDENFNNPTLIRTDKISYACGRMRSQYYQTIWAADNGDVYVFSPSYAKIMDADVQKTNLPAGVVRIKAGATDFDSYYCNLEELSGGKSFLRCWHITGDYFLLQMYTGEINSRGTGATRMAVFKATGNGDKGELYYVDGLPEPDRISSFSGTPFCENGVAYVGVIPITADGETNHPAIYKIDPVTHTATKGLTVNATGITAIGRLAKDSHSTYVVSATVTSANSTANYLLATSTLESGSVTPGNNNGFETATGTAWIFYKDQYLYRLQYNQGNEGVTTAYELNTNGGIAKRSNEYTITRFTTYGIFGENIISSSAVDATFTDLEHHHHHH

MKKNFLMWSFAMALLTGTLCTSCDETEGAVAPEETQSVQKGIAITYLHVTDQIMKNRDVIRGENFLGNGEYVTFAGILEANNKIYTAPIPMGLSVYGSAFEDGKWVKYPELVKTEDGGSNSSSYEKGELQWTQYPNEAWVAIYNDENFNNPTLIRTDKISYACGRMRSQYYQTIWAADNGDVYVFSPSYAKIMDADVQKTNLPAGVVRIKAGATDFDSYYCNLEELSGGKSFLRCWHITGDYFLLQMYTGEINSRGTGATRMAVFKATGNGDKGELYYVDGLPEPDRISSFSGTPFCENGVAYVGVIPITADGETNHPAIYKIDPVTHTATKGLTVNATGITAIGRLAKDSHSTYVVSATVTSANSTANYLLATSTLESGSVTPGNNNGFETATGTAWIFYKDQYLYRLQYNQGNEGVTTAYELNTNGGIAKRSNEYTITRFTTYGIFGENIISSSAVDATFTDLEHHHHHH
Non polymer #2 A1IWM

InChI=1S/C42H47N3O25/c46-8-24-29(54)31(56)33(58)35(69-24)13-4-16(27(52)22(49)6-13)38(61)44-19-11-67-40(63)18(43-37(60)15-2-1-3-21(48)26(15)51)10-66-41(64)20(12-68-42(19)65)45-39(62)17-5-14(7-23(50)28(17)53)36-34(59)32(57)30(55)25(9-47)70-36/h1-7,18-20,24-25,29-36,46-59H,8-12H2,(H,43,60)(H,44,61)(H,45,62)/t18-,19-,20-,24+,25+,29-,30+,31-,32-,33+,34-,35-,36-/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)c3cc(cc(c3O)O)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)c5cc(cc(c5O)O)[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 CL

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

[Cl-]
Non polymer #5 FE

InChI=1S/Fe/q+3

[Fe+3]
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Reference