2024-09-28_00000265|medium|9G9Q

Crystal structure of PbdA bound to p-methoxybenzoate.; X-ray diffraction 2.03Å
Protein #1 420 residues (94% resolved)

MGSSHHHHHSSGENLYFQGHMFAPAPALPVSDADPFALDVLQDPLPFQANLRDAGPVVYLRRYDVFALGRYEQVHAALTDWQSFQSAAGVGLSNFRYETPWRPPSILLEADPPHHDAPRAVLSKILGPRALQKLRAAWIQDAEALVDQLLANTTEFDAVTDLAAAFPLRVFPDAVGIPDAGRENLLPYGDHAFNAFGPANGLVEKGAPRVAELSGWVNAQCARDALTGDGFGAQIWAAADRGDITYEQAPLVVRSLLTAGVDTTVNGLAAVLYAFATHPDQWARLRENRTLARTAFDEAVRWESPVQTFFRTATRDTEIGGATIPDGKKILMFLGAANRDPRRWENPEVFDLGRNPSGHVGYGMGIHQCVGQHVARLESEALLTALASRVHSLEIAGPVHRHLNNTLRSWESVPVKVRLP

MGSSHHHHHSSGENLYFQGHMFAPAPALPVSDADPFALDVLQDPLPFQANLRDAGPVVYLRRYDVFALGRYEQVHAALTDWQSFQSAAGVGLSNFRYETPWRPPSILLEADPPHHDAPRAVLSKILGPRALQKLRAAWIQDAEALVDQLLANTTEFDAVTDLAAAFPLRVFPDAVGIPDAGRENLLPYGDHAFNAFGPANGLVEKGAPRVAELSGWVNAQCARDALTGDGFGAQIWAAADRGDITYEQAPLVVRSLLTAGVDTTVNGLAAVLYAFATHPDQWARLRENRTLARTAFDEAVRWESPVQTFFRTATRDTEIGGATIPDGKKILMFLGAANRDPRRWENPEVFDLGRNPSGHVGYGMGIHQCVGQHVARLESEALLTALASRVHSLEIAGPVHRHLNNTLRSWESVPVKVRLP
Non polymer #2 ANN

InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

COc1ccc(cc1)C(=O)O
Non polymer #3 HEM

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
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Reference