PDBsum entry 4u3d

Hydrolase

PDB id: 4u3d

Contents

Protein chain

267 a.a.

Ligands

IMD

3BX

Metals

_ZN ×2

_CL

Waters ×377

PDB id:

4u3d

Name:

Hydrolase

Title:

Lpxc from a.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl) phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)

Structure:

Udp-3-o-[3-hydroxymyristoyl] n-acetylglucosamine deacetylase. Chain: a. Synonym: udp-3-o-acyl-glcnac deacetylase. Engineered: yes

Source:

Aquifex aeolicus. Organism_taxid: 224324. Strain: vf5. Gene: lpxc, enva, aq_1772. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Resolution:

1.25Å R-factor: 0.158 R-free: 0.168

Authors:

N.B.Olivier

Key ref:

K.E.Murphy-Benenato et al. (2014). Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors. Acs Med Chem Lett, 5, 1213-1218. PubMed id: 25408833 DOI: 10.1021/ml500210x

Date:

19-Jul-14 Release date: 01-Oct-14

Protein chain

O67648  (LPXC_AQUAE) -  UDP-3-O-acyl-N-acetylglucosamine deacetylase from Aquifex aeolicus (strain VF5)

Seq: 282 a.a.

Struc: 267 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.3.5.1.108 - UDP-3-O-acyl-N-acetylglucosamine deacetylase.
• Reaction: a UDP-3-O-[(3R)-3-hydroxyacyl]-N-acetyl-alpha-D-glucosamine + H2O = a UDP-3-O-[(3R)-3-hydroxyacyl]-alpha-D-glucosamine + acetate
• Cofactor: Zn(2+)

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

Key reference

DOI no: 10.1021/ml500210x

Acs Med Chem Lett 5:1213-1218 (2014)

PubMed id: 25408833

Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.

K.E.Murphy-Benenato, N.Olivier, A.Choy, P.L.Ross, M.D.Miller, J.Thresher, N.Gao, M.R.Hale.

ABSTRACT

No abstract given.