Brand  (β version)

PDB ID: 3E7I

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Ligands
Code Name Style Show Link
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
B2 (2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine PoSSuM
Non-standard Residues
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Structure summary

Code : 3E7I   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of murine inos oxygenase domain with inhibitor AR-C94864
Release Data : 2008-10-07
Compound :
mol_id molecule chains synonym
1 Nitric oxide synthase, inducible A,B NOS TYPE II, INDUCIBLE NOS, INOS, MACROPHAGE NOS, MAC-NOS
ec: 1.14.13.39
Source :
mol_id organism_scientific organism_common expression_system
1 Mus musculus  (taxid:10090) Mouse Escherichia coli  (taxid:562)
gene: Nos2, Inosl
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_plasmid: PCWORI
Authors : Garcin, E.D., Arvai, A.S., Rosenfeld, R.J., Kroeger, M.D., Crane, B.R., Andersson, G., Andrews, G., Hamley, P.J., Mallinder, P.R., Nicholls, D.J., St-Gallay, S.A., Tinker, A.C., Gensmantel, N.P., Mete, A., Cheshire, D.R., Connolly, S., Stuehr, D.J., Aberg, A., Wallace, A.V., Tainer, J.A., Getzoff, E.D.
Keywords : NITRIC OXIDE SYNTHASE, NOS, HEME, TETRAHYDROBIOPTERIN, OXIDOREDUCTASE Calmodulin-binding, FAD, FMN, Iron, Metal-binding, NADP, Oxidoreductase, Polymorphism, Zinc
Exp. method : X-RAY DIFFRACTION ( 2.900 Å )
Citation :

Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.

Garcin, E.D.,Arvai, A.S.,Rosenfeld, R.J.  et al.
(2008)  Nat.Chem.Biol.  4 : 700 - 707

PubMed: 18849972
DOI: 10.1038/nchembio.115

Reaction

Chain : A, B
UniProt : P29477 (NOS2_MOUSE)
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:P35228
left-to-right
Cofactor: Evidence: Note:
heme b ECO:0000269 | PubMed:10562539
ECO:0000269 | PubMed:10769116
ECO:0000269 | PubMed:12437348
ECO:0000269 | PubMed:12464241
ECO:0000269 | PubMed:9516116
-
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:10562539
ECO:0000269 | PubMed:10769116
ECO:0000269 | PubMed:11669619
ECO:0000269 | PubMed:12437348
ECO:0000269 | PubMed:12464241
ECO:0000269 | PubMed:9516116
Tetrahydrobiopterin (BH4). May stabilize the dimeric form of the enzyme.