Brand  (β version)

PDB ID: 3TDC

Hetero Atom Contents

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0EU 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 PoSSuM

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Glycosylation
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Structure summary

Code : 3TDC   PDBj   RCSB PDB   PDBe
Header : LIGASE/LIGASE INHIBITOR
Title : Crystal Structure of Human Acetyl-CoA carboxylase 2
Release Data : 2011-10-12
Compound :
mol_id molecule chains
1 Acetyl-CoA carboxylase 2 variant A
ec: 6.4.1.2
fragment: UNP residues 921-1676
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
expression_system_common: Fall armyworm
expression_system_vector_type: Baculovirus
Authors : Dougan, D.R., Mol, C.D.
Keywords : biotin, malonyl-CoA, carboxylase, LIGASE-LIGASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.41 Å )
Citation :

Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.

Yamashita, T.,Kamata, M.,Endo, S.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 6314 - 6318

PubMed: 21944854
DOI: 10.1016/j.bmcl.2011.08.117

Reaction

Chain : A
UniProt : Q59GJ9 (Q59GJ9_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
hydrogencarbonate + acetyl-CoA + ATP = malonyl-CoA + ADP + phosphate + H(+) 6.4.1.2 ARBA:ARBA00047488
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