Biomaterial Database

Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography. 2006

Christian Oefner, and Henk Schulz, and Allan D'Arcy, and Glenn E Dale

Morphochem AG, Basel, Switzerland. coefner@arpida.ch

Malonyl-CoA-acyl carrier protein transacylase (FabD; EC 2.3.1.39) is a key enzyme in the fatty-acid biosynthesis pathway of bacteria, catalyzing the transfer of a malonyl moiety from malonyl-CoA to holo acyl carrier protein (ACP), generating malonyl-ACP and free CoASH. Malonyl-ACP, which is the product of this reaction, is the key building block for de novo fatty-acid biosynthesis. Various binary complex structures of the Escherichia coli enzyme are presented, including that of the natural substrate malonyl-CoA, indicating the functional role of the highly conserved amino acids Gln11, Ser92, Arg117 and His201 and the stabilizing function of the preformed oxyanion hole during the enzymatic reaction. Based on the presented structural data, a possible new catalytic enzyme mechanism is discussed. The data obtained could be used in aiding the process of rational inhibitor design.

UI	MeSH Term	Description	Entries
D008316	Malonyl Coenzyme A	A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.	Malonyl CoA,CoA, Malonyl,Coenzyme A, Malonyl
D008956	Models, Chemical	Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.	Chemical Models,Chemical Model,Model, Chemical
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D002384	Catalysis	The facilitation of a chemical reaction by material (catalyst) that is not consumed by the reaction.	Catalyses
D001665	Binding Sites	The parts of a macromolecule that directly participate in its specific combination with another molecule.	Combining Site,Binding Site,Combining Sites,Site, Binding,Site, Combining,Sites, Binding,Sites, Combining
D013379	Substrate Specificity	A characteristic feature of enzyme activity in relation to the kind of substrate on which the enzyme or catalytic molecule reacts.	Specificities, Substrate,Specificity, Substrate,Substrate Specificities
D051080	Acyl-Carrier Protein S-Malonyltransferase	This enzyme catalyzes the transacylation of malonate from MALONYL CoA to activated holo-ACP, to generate malonyl-(acyl-carrier protein), which is an elongation substrate in FATTY ACIDS biosynthesis. It is an essential enzyme in the biosynthesis of FATTY ACIDS in all BACTERIA.	(Acyl-Carrier-Protein) Malonyltransferase,(Acyl-Carrier-Protein) S-Malonyltransferase,Malonyl CoA Transferase,Malonyl Coenzyme A Transferase,Malonyl Coenzyme A-Acyl Carrier Protein Transacylase,Malonyl Transacylase,Malonyl-CoA-ACP-Transacylase,Acyl Carrier Protein S Malonyltransferase,CoA Transferase, Malonyl,Malonyl CoA ACP Transacylase,Malonyl Coenzyme A Acyl Carrier Protein Transacylase,S-Malonyltransferase, Acyl-Carrier Protein,Transacylase, Malonyl,Transferase, Malonyl CoA
D054889	Fatty Acid Synthase, Type II	The form of fatty acid synthase complex found in BACTERIA; FUNGI; and PLANTS. Catalytic steps are like the animal form but the protein structure is different with dissociated enzymes encoded by separate genes. It is a target of some ANTI-INFECTIVE AGENTS which result in disruption of the CELL MEMBRANE and CELL WALL.	Fatty Acid Synthase II,Fatty Acid Synthetase Complex, Type II,FAS-II Synthase,Fatty Acid Synthase Type II,Fatty Acid Synthase, Bacterial, Plant, and Fungi Form,FAS II Synthase,Synthase, FAS-II
D018360	Crystallography, X-Ray	The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies
D029968	Escherichia coli Proteins	Proteins obtained from ESCHERICHIA COLI.	E coli Proteins