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PDBsum entry 3tyn
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Oxidoreductase/oxidoreductase inhibitor
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PDB id
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3tyn
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PDB id:
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| Name: |
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Oxidoreductase/oxidoreductase inhibitor
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Title:
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Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3s,4s)-4-((6-amino-4-methylpyridin-2-yl)methyl) pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol
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Structure:
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Nitric oxide synthase, brain. Chain: a, b. Fragment: unp residues 297-718. Synonym: bnos, constitutive nos, nc-nos, nos type i, neuronal nos, n- nos, nnos, peptidyl-cysteine s-nitrosylase nos1. Engineered: yes
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Source:
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Rattus norvegicus. Brown rat,rat,rats. Organism_taxid: 10116. Gene: nos1, bnos. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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1.97Å
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R-factor:
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0.187
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R-free:
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0.223
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Authors:
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H.Li,T.L.Poulos
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Key ref:
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K.J.Labby
et al.
(2012).
Intramolecular hydrogen bonding: a potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg Med Chem Lett,
20,
2435-2443.
PubMed id:
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Date:
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26-Sep-11
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Release date:
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14-Mar-12
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PROCHECK
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Headers
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References
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P29476
(NOS1_RAT) -
Nitric oxide synthase 1 from Rattus norvegicus
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Seq:
Struc:
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1429 a.a.
407 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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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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Bioorg Med Chem Lett
20:2435-2443
(2012)
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PubMed id:
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Intramolecular hydrogen bonding: a potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
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K.J.Labby,
F.Xue,
J.M.Kraus,
H.Ji,
J.Mataka,
H.Li,
P.Martásek,
L.J.Roman,
T.L.Poulos,
R.B.Silverman.
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ABSTRACT
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Links
