2024-10-26_00000137|ligand|8WVR

Complex structure of the azoxy synthase VlmB and its substrate; X-ray diffraction 2.05Å
Protein #1 332 residues (97% resolved)

MSAPIPAETGWDSAPGLLEGAMTLDLTPEQCDLGYWLRGVAQGTLAGRAETGHTDAEPTPEHMRADGPLRDAQVLELSCRSVAEAQATRVLAHYVAQAPDIVELEFFTTQLVDEARHSMVFRRHLLAMGVPADRLHASIAEVSAEYRREVLEPILDFALTTVRDEGDFVGGVAVFTIIIEGVLAPAAELSERKWNLLDPAAGAIARGAAIDEVRHLTVGSSVVRRHLLRRPERKAALLDIVRRGREIWDGIPDRKHVLRREELFQAGMREHADLLAGYEVWPGQPLLSTTPEQRYAMAEQWTDRMAAARLVHMGLPEAIDLLRLTDHHHHHH

MSAPIPAETGWDSAPGLLEGAMTLDLTPEQCDLGYWLRGVAQGTLAGRAETGHTDAEPTPEHMRADGPLRDAQVLELSCRSVAEAQATRVLAHYVAQAPDIVELEFFTTQLVDEARHSMVFRRHLLAMGVPADRLHASIAEVSAEYRREVLEPILDFALTTVRDEGDFVGGVAVFTIIIEGVLAPAAELSERKWNLLDPAAGAIARGAAIDEVRHLTVGSSVVRRHLLRRPERKAALLDIVRRGREIWDGIPDRKHVLRREELFQAGMREHADLLAGYEVWPGQPLLSTTPEQRYAMAEQWTDRMAAARLVHMGLPEAIDLLRLTDHHHHHH
Non polymer #2 FE

InChI=1S/Fe/q+3

[Fe+3]
Non polymer #3 IMD

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1

c1c[nH+]c[nH]1
Non polymer #4 XBN

InChI=1S/C9H20N2O3/c1-2-3-4-5-6-10-11-8(7-12)9(13)14/h8,10-12H,2-7H2,1H3,(H,13,14)/t8-/m0/s1

CCCCCCNN[C@@H](CO)C(=O)O
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Reference