Center for Structural Genomics of Infectious Diseases - Deposits

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Structure of IDP01610

X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis.

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CSGID target: IDP01610
PDB Id: 3I1I (NCBI MMDB)
Authors: J.Osipiuk,M.Zhou,S.Grimshaw,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)
Responsible person: Jerzy Osipiuk
Responsible lab: Argonne National Laboratory
Deposition Date: Jun 26, 2009
Release Date: Jul 07, 2009

Annotation

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Description: Homoserine O-acetyltransferases belong to esterase_lipase protein super-family. They catalyze reaction of the transfer of acetyl group from acetyl-CoA to homoserine which is the first part of methionine biosynthesis pathway. This biosynthetic pathway is absent in mammals. Therefore, homoserine O-acetyltransferase is an attractive antimicrobial target.
Functional assignment

Ligands

Ligand code	Name	Ligand type
ACT
GOL	glycerol
PO4
MSE		modified residue

Structure information

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Unit cell parameters

Space Group: P 61 2 2
Unit Cell: a=123.22Å, b=123.22Å, c=295.17Å
α=90.00, β=90.00, γ=120.00
Solvent content: 66.75
Matthews coefficient: 3.7
Resolution range: 47.30-2.44Å (2.50-2.44Å)
R_all(%): 16.3
R_work(%): 16.1 (21.9)
R_free(%): 19.7 (27.4)
Num. observed reflections: 50039 (3557)
Num. R_free reflections: 2551 (172)
Completeness(%): 99.4 (97.7)
Num Atoms: 6427
Num Waters: 347
Num Hetatoms: 0
Model mean isotropic B factor: 23.260Å²
RMSD bond length: 0.017Å
RMSD bond angle: 1.487°
Filename uploaded: idp01610.pdb (uploaded on Jun 26, 2009 6:30 PM)
Inserted: Jun 26, 2009