Brand  (β version)

PDB ID: 5ADM

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Ligands
Code Name Style Show Link
9M9 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine PoSSuM
ACT Acetate ion PoSSuM
GOL Glycerol 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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CAS S-(dimethylarsenic)cysteine
Glycosylation
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Structure summary

Code : 5ADM   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine
Release Data : 2015-10-28
Compound :
mol_id molecule chains synonym
1 NITRIC OXIDE SYNTHASE, ENDOTHELIAL A,B CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE
ec: 1.14.13.39
fragment: HEME DOMAIN, UNP RESIDUES 40-482
Source :
mol_id organism_scientific organism_common expression_system
1 BOS TAURUS  (taxid:9913) BOVINE ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_vector: PCWORI
Authors : Li, H., Poulos, T.L.
Keywords : OXIDOREDUCTASE, NITRIC OXIDE SYNTHASE, INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.196 Å )
Citation :

Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.

Cinelli, M.A.,Li, H.,Pensa, A.V.  et al.
(2015)  J.Med.Chem.  58 : 8694

PubMed: 26469213
DOI: 10.1021/ACS.JMEDCHEM.5B01330

Reaction

Chain : A, B
UniProt : P29473 (NOS3_BOVIN)
Reaction: EC: Evidence:
Physiological Direction:
2 L-arginine + 3 NADPH + 4 O2 + H(+) = 2 L-citrulline + 2 nitric oxide + 3 NADP(+) + 4 H2O 1.14.13.39 UniProtKB:P29474
left-to-right
Cofactor: Evidence: Note:
heme b ECO:0000269 | PubMed:11051558
ECO:0000269 | PubMed:9875848
-
FAD ECO:0000250 | UniProtKB:P29476
Binds 1 FAD.
FMN ECO:0000250 | UniProtKB:P35228
Binds 1 FMN.
(6R)-L-erythro-5,6,7,8-tetrahydrobiopterin ECO:0000269 | PubMed:11051558
ECO:0000269 | PubMed:11331003
ECO:0000269 | PubMed:9875848
Tetrahydrobiopterin (BH4). May stabilize the dimeric form of the enzyme.