2025-01-18_00000310|ligand|9H5Z

Crystal structure of Thermoanaerobacterales bacterium monoamine oxidase in complex with benzylamine; X-ray diffraction 2.20Å
Protein #1 474 residues (95% resolved)

MGSSHHHHHHGSGLVPRGSAGMPSEQVDVVVVGAGFAGLTAARAVHEAGRSVLVLEARDRVGGRTCTEEHHGTWIDLGGQWIGPGQDRVAALAAELGVETYPQPTEGDDVVLFGDGEPQRAPDVALAFSDEELTAYLELAGALEAIAEKVPLDAPWLAPEAAAWDATTLREWVAGTGVPDRVAGLFEVAVQAVFAATSAQLSLLHAAHYVHSAGGWSKLTDTEGGAQQDRLVGGVQPLAERLAARLPDGALRLSTPVRGLAQDGDGVTVRTAGGEVRARRAIVAVPPTLAGRIDHDPPLPPQRDQLLQHMPQGSVVKFHVIYDEPWWRAEGLSGTVLCPDEPIGVTFDGTPPAGTPGIVTGFFEGPAAVAAGARTREERRDVVVDVLARTLGERARDVRDYIDRDWSAEPWTRGCYGAHLPPGAWTVYGPALRVPVGRVHWAGTETAERWTGYIDGAIESGQRAAAEVLAALGS

MGSSHHHHHHGSGLVPRGSAGMPSEQVDVVVVGAGFAGLTAARAVHEAGRSVLVLEARDRVGGRTCTEEHHGTWIDLGGQWIGPGQDRVAALAAELGVETYPQPTEGDDVVLFGDGEPQRAPDVALAFSDEELTAYLELAGALEAIAEKVPLDAPWLAPEAAAWDATTLREWVAGTGVPDRVAGLFEVAVQAVFAATSAQLSLLHAAHYVHSAGGWSKLTDTEGGAQQDRLVGGVQPLAERLAARLPDGALRLSTPVRGLAQDGDGVTVRTAGGEVRARRAIVAVPPTLAGRIDHDPPLPPQRDQLLQHMPQGSVVKFHVIYDEPWWRAEGLSGTVLCPDEPIGVTFDGTPPAGTPGIVTGFFEGPAAVAAGARTREERRDVVVDVLARTLGERARDVRDYIDRDWSAEPWTRGCYGAHLPPGAWTVYGPALRVPVGRVHWAGTETAERWTGYIDGAIESGQRAAAEVLAALGS
Non polymer #2 ABN

InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

c1ccc(cc1)CN
Non polymer #3 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference