TY  - JOUR
AU  - Smits, S.H.J.
AU  - Meyer, T.
AU  - Müller, A.
AU  - van Os, N.
AU  - Stoldt, M.
AU  - Willbold, D.
AU  - Schmitt, L.
AU  - Grieshaber, M.K.
TI  - Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography
JO  - PLoS one
VL  - 5
SN  - 1932-6203
CY  - Lawrence, Kan.
PB  - PLoS
M1  - PreJuSER-11495
SP  - e12312
PY  - 2010
N1  - This work was supported by the Deutsche Forschungs Gemeinschaft (grant GR456/20-4 to M.K.G.) and a stipendium of the North Rhein Westphalia graduate school Biostruct to T.M. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.
AB  - Octopine dehydrogenase (OcDH) from the adductor muscle of the great scallop, Pecten maximus, catalyzes the NADH dependent, reductive condensation of L-arginine and pyruvate to octopine, NAD(+), and water during escape swimming and/or subsequent recovery. The structure of OcDH was recently solved and a reaction mechanism was proposed which implied an ordered binding of NADH, L-arginine and finally pyruvate. Here, the order of substrate binding as well as the underlying conformational changes were investigated by NMR confirming the model derived from the crystal structures. Furthermore, the crystal structure of the OcDH/NADH/agmatine complex was determined which suggests a key role of the side chain of L-arginine in protein cataylsis. Thus, the order of substrate binding to OcDH as well as the molecular signals involved in octopine formation can now be described in molecular detail.
KW  - Agmatine: pharmacology
KW  - Amino Acid Oxidoreductases: antagonists & inhibitors
KW  - Amino Acid Oxidoreductases: chemistry
KW  - Amino Acid Oxidoreductases: metabolism
KW  - Animals
KW  - Crystallography, X-Ray
KW  - Ligands
KW  - Models, Molecular
KW  - Nuclear Magnetic Resonance, Biomolecular
KW  - Pecten: enzymology
KW  - Protein Binding
KW  - Protein Structure, Tertiary
KW  - Ligands (NLM Chemicals)
KW  - Agmatine (NLM Chemicals)
KW  - Amino Acid Oxidoreductases (NLM Chemicals)
KW  - D-octopine dehydrogenase (NLM Chemicals)
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:20808820
C2  - pmc:PMC2924402
UR  - <Go to ISI:>//WOS:000281075500029
DO  - DOI:10.1371/journal.pone.0012312
UR  - https://juser.fz-juelich.de/record/11495
ER  -