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PDBsum entry 3pnh
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Oxidoreductase/inhibitor
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PDB id
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3pnh
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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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Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(((3r,4r)-4-(2-((2-fluoro-2-(3-fluorophenyl) ethyl) amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
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Structure:
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Nitric oxide synthase, endothelial. Chain: a, b. Fragment: unp residues 67-482. Synonym: constitutive nos, cnos, ec-nos, endothelial nos, enos, nos type iii, nosiii. Engineered: yes
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Source:
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Bos taurus. Bovine,cow,domestic cattle,domestic cow. Organism_taxid: 9913. Gene: nos3. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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1.93Å
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R-factor:
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0.166
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R-free:
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0.204
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Authors:
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S.L.Delker,H.Li,T.L.Poulos
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Key ref:
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F.Xue
et al.
(2011).
Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J Med Chem,
54,
6399-6403.
PubMed id:
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Date:
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18-Nov-10
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Release date:
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05-Oct-11
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PROCHECK
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Headers
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References
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P29473
(NOS3_BOVIN) -
Nitric oxide synthase 3 from Bos taurus
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Seq:
Struc:
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1205 a.a.
404 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.1.14.13.39
- nitric-oxide synthase (NADPH).
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Reaction:
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2 L-arginine + 3 NADPH + 4 O2 + H+ = 2 L-citrulline + 2 nitric oxide + 3 NADP+ + 4 H2O
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2
×
L-arginine
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+
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3
×
NADPH
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+
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4
×
O2
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+
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H(+)
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=
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2
×
L-citrulline
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+
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2
×
nitric oxide
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+
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3
×
NADP(+)
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+
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4
×
H2O
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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J Med Chem
54:6399-6403
(2011)
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PubMed id:
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Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
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F.Xue,
J.M.Kraus,
K.J.Labby,
H.Ji,
J.Mataka,
G.Xia,
H.Li,
S.L.Delker,
L.J.Roman,
P.Martásek,
T.L.Poulos,
R.B.Silverman.
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ABSTRACT
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Links
