3TDC

Crystal Structure of Human Acetyl-CoA carboxylase 2

Summary for 3TDC

Entry DOI	10.2210/pdb3tdc/pdb
Descriptor	Acetyl-CoA carboxylase 2 variant, 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea (3 entities in total)
Functional Keywords	biotin, malonyl-coa, carboxylase, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	87103.67
Authors	Dougan, D.R.,Mol, C.D. (deposition date: 2011-08-10, release date: 2011-10-12, Last modification date: 2023-09-13)
Primary citation	Yamashita, T.,Kamata, M.,Endo, S.,Yamamoto, M.,Kakegawa, K.,Watanabe, H.,Miwa, K.,Yamano, T.,Funata, M.,Sakamoto, J.,Tani, A.,Mol, C.D.,Zou, H.,Dougan, D.R.,Sang, B.,Snell, G.,Fukatsu, K. Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors. Bioorg.Med.Chem.Lett., 21:6314-6318, 2011 Cited by PubMed: 21944854 DOI: 10.1016/j.bmcl.2011.08.117 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.41 Å)

Structure validation