PDBsum entry 3glk

Ligase

PDB id: 3glk

Contents

Protein chain

465 a.a. *

Waters ×289

* Residue conservation analysis

PDB id:

3glk

Name:

Ligase

Title:

The biotin carboxylase (bc) domain of human acetyl-coa carboxylase 2 (acc2)

Structure:

Acetyl-coa carboxylase 2. Chain: a. Fragment: bc domain. Synonym: acc-beta, biotin carboxylase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: acacb, acc2, accb. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.10Å R-factor: 0.212 R-free: 0.247

Authors:

A.Price,R.Kulathila

Key ref:

B.Raymer et al. (2009). Synthesis and characterization of a BODIPY-labeled derivative of Soraphen A that binds to acetyl-CoA carboxylase. Bioorg Med Chem Lett, 19, 2804-2807. PubMed id: 19359168

Date:

12-Mar-09 Release date: 24-Mar-09

Protein chain

O00763  (ACACB_HUMAN) -  Acetyl-CoA carboxylase 2 from Homo sapiens

Seq: 2458 a.a.

Struc: 465 a.a.

Enzyme reactions

• Enzyme class: E.C.6.4.1.2 - acetyl-CoA carboxylase.
• Reaction: hydrogencarbonate + acetyl-CoA + ATP = malonyl-CoA + ADP + phosphate + H⁺
• Cofactor: Biotin

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Bioorg Med Chem Lett 19:2804-2807 (2009)

PubMed id: 19359168

Synthesis and characterization of a BODIPY-labeled derivative of Soraphen A that binds to acetyl-CoA carboxylase.

B.Raymer, M.Kavana, A.Price, B.Wang, L.Corcoran, R.Kulathila, J.Groarke, T.Mann.

ABSTRACT

BODIPY-labeled Soraphen A derivative 4 was synthesized and characterized as an acetyl-CoA carboxylase (ACC) binder. Biophysical measurements indicate that the molecule binds in the biotin carboxylase domain where Soraphen A has been shown to bind. The fluorescent label of the BODIPY can be used to biophysically identify a compound that binds to the Soraphen A site of the biotin carboxylase domain versus the carboxytransferase domain of ACC.