2026-05-02_00000042|ligand|28PQ

CryoEM structure of native quinol dependent Nitric Oxide Reductase Trp718Ala variant at pH 6.5 on gold grid.; Electron microscopy 2.40Å
Protein #1 761 residues (93% resolved)

MGPYRRLWFTLIAVLAVTFALLGFYGGEVYRQAPPIPEEVASADGTRLFGRDDILDGQTAWQSIGGMQLGSIWGHGAYQAPDWTADWLHRELMAWLDLAARDAHGRDYGQLDAPAQAALREQLKAEYRANRADAAGGKLTLSPRRAQAVAQTEAYYDQLFSDAPALHRSRENYAMKENTLPDANRRRQMTHFFFWTAWAAATEREGTSVTYTNNWPHEPLIGNHPSSENVMWSIISVVVLLAGIGLLIWAWAFLRGKEEDEPPAPARDPLTTFALTPSQRALGKYLFLVVALFGFQVLLGGFTAHYTVEGQKFYGIDLSQWFPYSLVRTWHIQSALFWIATGFLAAGLFLAPLINGGRDPKYQKAGVDILFWALVLVVVGSFAGNYLAIAQIMPPDLNFWLGHQGYEYVDLGRLWQIGKFAGICFWLVLMLRGIVPALRTPGGDKNLLALLTASVGAIGLFYGAGFFYGERTHLTVMEYWRWWIVHLWVEGFFEVFATTALAFIFSTLGLVSRRMATTASLASASLFMLGGIPGTFHHLYFAGTTTPVMAVGASFSALEVVPLIVLGHEAWENWRLKTRAPWMENLKWPLMCFVAVAFWNMLGAGVFGFMINPPVSLYYIQGLNTTPVHAHAALFGVYGFLALGFTLLVLRYIRPQYALSPGLMKLAFWGLNLGLALMIFTSLLPIGLIQFHASVSEGMWYARSEAFMQQDILKTLRAGRTFGDVVFLLGALAMVVQVILGLLSGKPAAAEPVLRAEPARR

MGPYRRLWFTLIAVLAVTFALLGFYGGEVYRQAPPIPEEVASADGTRLFGRDDILDGQTAWQSIGGMQLGSIWGHGAYQAPDWTADWLHRELMAWLDLAARDAHGRDYGQLDAPAQAALREQLKAEYRANRADAAGGKLTLSPRRAQAVAQTEAYYDQLFSDAPALHRSRENYAMKENTLPDANRRRQMTHFFFWTAWAAATEREGTSVTYTNNWPHEPLIGNHPSSENVMWSIISVVVLLAGIGLLIWAWAFLRGKEEDEPPAPARDPLTTFALTPSQRALGKYLFLVVALFGFQVLLGGFTAHYTVEGQKFYGIDLSQWFPYSLVRTWHIQSALFWIATGFLAAGLFLAPLINGGRDPKYQKAGVDILFWALVLVVVGSFAGNYLAIAQIMPPDLNFWLGHQGYEYVDLGRLWQIGKFAGICFWLVLMLRGIVPALRTPGGDKNLLALLTASVGAIGLFYGAGFFYGERTHLTVMEYWRWWIVHLWVEGFFEVFATTALAFIFSTLGLVSRRMATTASLASASLFMLGGIPGTFHHLYFAGTTTPVMAVGASFSALEVVPLIVLGHEAWENWRLKTRAPWMENLKWPLMCFVAVAFWNMLGAGVFGFMINPPVSLYYIQGLNTTPVHAHAALFGVYGFLALGFTLLVLRYIRPQYALSPGLMKLAFWGLNLGLALMIFTSLLPIGLIQFHASVSEGMWYARSEAFMQQDILKTLRAGRTFGDVVFLLGALAMVVQVILGLLSGKPAAAEPVLRAEPARR
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 FE

InChI=1S/Fe/q+3

[Fe+3]
Non polymer #4 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
Non polymer #5 LMT

InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Non polymer #6 UQ5

InChI=1S/C34H50O4/c1-24(2)14-10-15-25(3)16-11-17-26(4)18-12-19-27(5)20-13-21-28(6)22-23-30-29(7)31(35)33(37-8)34(38-9)32(30)36/h14,16,18,20,22H,10-13,15,17,19,21,23H2,1-9H3/b25-16+,26-18+,27-20+,28-22+

CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
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Reference