2026-03-14_00000332|ligand|9S45

ClxA from Clostridium cavendishii in complex with 3-amino,4-hydroxybenzoic acid and its adenylate; X-ray diffraction 2.15Å
Protein #1 401 residues (100% resolved)

MDSNSQLITKLNSALQIATKANFYKDRLGNIEIKSLDDFSKLPLTTKEDLRKLKPMEALTVDIEDLFQYHESFGTTGEPVSTWLTEKDFNAYGDQLNEFGVNFKSTDIVLNRFPYAISVPAHIFTNAIHKKGACVIPVSKASAISPLKRVANLIYKLRPSILTGIPDELIKLNKVAKFMDISLKDLGCIRAICTAGEMLSEGRKAKLESIFGAKVYNYYGCTECGNMAASCDEGHLHISKDFYVEILDPVTLKPVKEGKGKIIVTTLNKEAFPMIRYDLGDIGEIKYEKCSCGNDRPVLIHHGREIDLIKTSKGTITFKELQEEIFKLPNSVVGDVFRVKIQNDEVIVECEADEELDNSNSNLNLPIEVKIKRFNHGEILNIDNLIEIKPIAKPKYVEYVD

MDSNSQLITKLNSALQIATKANFYKDRLGNIEIKSLDDFSKLPLTTKEDLRKLKPMEALTVDIEDLFQYHESFGTTGEPVSTWLTEKDFNAYGDQLNEFGVNFKSTDIVLNRFPYAISVPAHIFTNAIHKKGACVIPVSKASAISPLKRVANLIYKLRPSILTGIPDELIKLNKVAKFMDISLKDLGCIRAICTAGEMLSEGRKAKLESIFGAKVYNYYGCTECGNMAASCDEGHLHISKDFYVEILDPVTLKPVKEGKGKIIVTTLNKEAFPMIRYDLGDIGEIKYEKCSCGNDRPVLIHHGREIDLIKTSKGTITFKELQEEIFKLPNSVVGDVFRVKIQNDEVIVECEADEELDNSNSNLNLPIEVKIKRFNHGEILNIDNLIEIKPIAKPKYVEYVD
Non polymer #2 A1JLN

InChI=1S/C17H19N6O9P/c18-8-3-7(1-2-9(8)24)17(27)32-33(28,29)30-4-10-12(25)13(26)16(31-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-26H,4,18H2,(H,28,29)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1

c1cc(c(cc1C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O
Non polymer #3 A1JOG

InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)

c1cc(c(cc1C(=O)O)N)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 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference