2025-01-18_00000309|ligand|9H5Q

Crystal structure of Thermoanaerobacterales bacterium monoamine oxidase in complex with spermidine and its oxidation products; X-ray diffraction 1.80Å
Protein #1 474 residues (95% resolved)

MGSSHHHHHHGSGLVPRGSAGMPSEQVDVVVVGAGFAGLTAARAVHEAGRSVLVLEARDRVGGRTCTEEHHGTWIDLGGQWIGPGQDRVAALAAELGVETYPQPTEGDDVVLFGDGEPQRAPDVALAFSDEELTAYLELAGALEAIAEKVPLDAPWLAPEAAAWDATTLREWVAGTGVPDRVAGLFEVAVQAVFAATSAQLSLLHAAHYVHSAGGWSKLTDTEGGAQQDRLVGGVQPLAERLAARLPDGALRLSTPVRGLAQDGDGVTVRTAGGEVRARRAIVAVPPTLAGRIDHDPPLPPQRDQLLQHMPQGSVVKFHVIYDEPWWRAEGLSGTVLCPDEPIGVTFDGTPPAGTPGIVTGFFEGPAAVAAGARTREERRDVVVDVLARTLGERARDVRDYIDRDWSAEPWTRGCYGAHLPPGAWTVYGPALRVPVGRVHWAGTETAERWTGYIDGAIESGQRAAAEVLAALGS

MGSSHHHHHHGSGLVPRGSAGMPSEQVDVVVVGAGFAGLTAARAVHEAGRSVLVLEARDRVGGRTCTEEHHGTWIDLGGQWIGPGQDRVAALAAELGVETYPQPTEGDDVVLFGDGEPQRAPDVALAFSDEELTAYLELAGALEAIAEKVPLDAPWLAPEAAAWDATTLREWVAGTGVPDRVAGLFEVAVQAVFAATSAQLSLLHAAHYVHSAGGWSKLTDTEGGAQQDRLVGGVQPLAERLAARLPDGALRLSTPVRGLAQDGDGVTVRTAGGEVRARRAIVAVPPTLAGRIDHDPPLPPQRDQLLQHMPQGSVVKFHVIYDEPWWRAEGLSGTVLCPDEPIGVTFDGTPPAGTPGIVTGFFEGPAAVAAGARTREERRDVVVDVLARTLGERARDVRDYIDRDWSAEPWTRGCYGAHLPPGAWTVYGPALRVPVGRVHWAGTETAERWTGYIDGAIESGQRAAAEVLAALGS
Non polymer #2 13D

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

C(CN)CN
Non polymer #3 4HA

InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1

C(CCO)C[NH3+]
Non polymer #4 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 #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 SPD

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

C(CCNCCCN)CN
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Reference