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PDBsum entry 3uxh
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Oxidoreductase/inhibitor
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PDB id
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3uxh
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PDB id:
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| Name: |
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Oxidoreductase/inhibitor
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Title:
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Design, synthesis and biological evaluation of potetent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2
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Structure:
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Ribosyldihydronicotinamide dehydrogenase [quinone]. Chain: a, b. Synonym: nrh dehydrogenase [quinone] 2, nrh:quinone oxidoreductase 2, quinone reductase 2, qr2. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: nqo2, nmor2. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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1.53Å
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R-factor:
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0.164
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R-free:
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0.184
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Authors:
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M.Cushman,A.D.Mesecar,P.E.Fanwick,R.Narasimha,K.C.Jensen
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Key ref:
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P.V.Reddy
et al.
(2012).
Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J Med Chem,
55,
367-377.
PubMed id:
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Date:
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05-Dec-11
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Release date:
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18-Jan-12
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PROCHECK
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Headers
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References
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P16083
(NQO2_HUMAN) -
Ribosyldihydronicotinamide dehydrogenase [quinone] from Homo sapiens
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Seq:
Struc:
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231 a.a.
230 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class:
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E.C.1.10.5.1
- ribosyldihydronicotinamide dehydrogenase (quinone).
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Reaction:
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1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide + a quinone + H+ = beta-nicotinamide D-riboside + a quinol
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1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide
Bound ligand (Het Group name = )
matches with 65.22% similarity
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+
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quinone
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+
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H(+)
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=
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beta-nicotinamide D-riboside
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+
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quinol
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Cofactor:
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FAD; Zn(2+)
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FAD
Bound ligand (Het Group name =
FAD)
corresponds exactly
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Zn(2+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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J Med Chem
55:367-377
(2012)
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PubMed id:
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Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
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P.V.Reddy,
K.C.Jensen,
A.D.Mesecar,
P.E.Fanwick,
M.Cushman.
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ABSTRACT
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Links
