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1xi2

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Revision as of 10:00, 6 January 2021

Quinone Reductase 2 in Complex with Cancer Prodrug CB1954

Structural highlights

1xi2 is a 2 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	, ,
Related:	1qr2, 2qr2
Gene:	NQO2, NMOR2 (HUMAN)
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[NQO2_HUMAN] The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinones involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis.^[1]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

CB1954 is a cancer pro-drug that can be activated through reduction by Escherichia coli nitro-reductases and quinone reductases. Human quinone reductase 2 is very efficient in the activation of CB1954, approximately 3000 times more efficient than human QR1 in terms of k(cat)/K(m). We have solved the three-dimensional structure of QR2 in complex with CB1954 to a nominal resolution of 1.5A. The complex structure indicates the essentiality of the two nitro groups: one nitro group forms hydrogen bonds with the side-chain of Asn161 of QR2 to hold the other nitro group in position for the reduction. We further conclude that residue 161, an Asn in QR2 and a His in QR1, is critical in differentiating the substrate specificities of these two enzymes. Mutation of Asn161 to His161 in QR2 resulted in the total loss of the enzymatic activity towards activation of CB1954, whereas the rates of reduction towards menadione are not altered.

Crystal structure of quinone reductase 2 in complex with cancer prodrug CB1954.,Fu Y, Buryanovskyy L, Zhang Z Biochem Biophys Res Commun. 2005 Oct 14;336(1):332-8. PMID:16129418^[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Calamini B, Santarsiero BD, Boutin JA, Mesecar AD. Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem J. 2008 Jul 1;413(1):81-91. PMID:18254726 doi:10.1042/BJ20071373
↑ Fu Y, Buryanovskyy L, Zhang Z. Crystal structure of quinone reductase 2 in complex with cancer prodrug CB1954. Biochem Biophys Res Commun. 2005 Oct 14;336(1):332-8. PMID:16129418 doi:10.1016/j.bbrc.2005.08.081

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1xi2"

@@ Line 1: / Line 1: @@
 ==Quinone Reductase 2 in Complex with Cancer Prodrug CB1954==
-<StructureSection load='1xi2' size='340' side='right' caption='[[1xi2]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
+<StructureSection load='1xi2' size='340' side='right'caption='[[1xi2]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1xi2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XI2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1XI2 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1xi2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XI2 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=1XI2 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB1:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE'>CB1</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CB1:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE'>CB1</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1qr2|1qr2]], [[2qr2|2qr2]]</td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1qr2|1qr2]], [[2qr2|2qr2]]</div></td></tr>
 <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NQO2, NMOR2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xi2 OCA], [http://pdbe.org/1xi2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1xi2 RCSB], [http://www.ebi.ac.uk/pdbsum/1xi2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1xi2 ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=1xi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xi2 OCA], [http://pdbe.org/1xi2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1xi2 RCSB], [http://www.ebi.ac.uk/pdbsum/1xi2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1xi2 ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 38: / Line 38: @@
 </StructureSection>
 [[Category: Human]]
+[[Category: Large Structures]]
 [[Category: Buryanovskyy, L]]
 [[Category: Fu, Y]]

1xi2

From Proteopedia

Revision as of 10:00, 6 January 2021

Quinone Reductase 2 in Complex with Cancer Prodrug CB1954

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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