Brand  (β version)

PDB ID: 3TYN

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
CXW 2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3TYN   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : 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
Release Data : 2012-03-14
Compound :
mol_id molecule chains synonym
1 Nitric oxide synthase, brain A,B BNOS, Constitutive NOS, NC-NOS, NOS type I, Neuronal NOS, N-NOS, nNOS, Peptidyl-cysteine S-nitrosylase NOS1
ec: 1.14.13.39
fragment: UNP Residues 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Brown rat,rat,rats Escherichia coli  (taxid:469008)
gene: Nos1, Bnos
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Li, H., Poulos, T.L.
Keywords : oxidoreductase, nitric oxide synthase, inhibitor binding, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.968 Å )
Citation :

Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.

Labby, K.J.,Xue, F.,Kraus, J.M.  et al.
(2012)  Bioorg.Med.Chem.  20 : 2435 - 2443

PubMed: 22370337
DOI: 10.1016/j.bmc.2012.01.037

Reaction

Chain : A, B
UniProt : P29476 (NOS1_RAT)
Reaction: EC: Evidence:
Physiological Direction:
H(+) + 2 L-arginine + 3 NADPH + 4 O2 = 4 H2O + 2 L-citrulline + 3 NADP(+) + 2 nitric oxide 1.14.13.39 PubMed:15548660, PubMed:1712077
left-to-right PubMed:1712077