Center for Structural Genomics of Infectious Diseases

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Structure of IDP04293

CSGID target: IDP04293
PDB Id: 3OXP (NCBI MMDB)
Authors: 'E.V.Filippova,Z.Wawrzak,M.Kudritska,A.Edwards,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)'
Responsible person: Ekaterina Filippova
Responsible lab: Northwestern University
Deposition Date: Sep 21, 2010
Release Date: Oct 13, 2010

Description: The bacterial phosphoenolpyruvate-dependent sugar phosphotransferase system (PEP-PTS) is essential in the coupled transportation and phosphorylation of various types of carbohydrates. The PtxA protein from Yersinia pestis CO92 are sequentially similar to the mannitol-specific cryptic phosphotransferase MtlA. The PtxA protein corresponds to the phosphotransferase enzyme IIA component.The structure of PtxA adopts a globular fold consisting of a central mixed five-strand beta-sheet flanked by seven helices at both sides. Here we report the solution structure at high resolution by X-ray crystallography.
Functional assignment: Amino acid biosynthesis

Ligand code	Name	Ligand type
GOL	glycerol	crystallization
MSE		modified residue
175	3,5-dihydro-5-methylidene-4h-imidazol-4-on

Space Group: P 21 21 21
Unit Cell: a=56.91Å, b=57.95Å, c=78.74Å
α=90.00, β=90.00, γ=90.00
Solvent content: 38.52
Matthews coefficient: 2
Resolution range: 46.67-1.20Å (1.23-1.20Å)
R_all(%): 14.8
R_work(%): 14.7 (23.2)
R_free(%): 17.9 (26.9)
Num. observed reflections: 81630 (5899)
Num. R_free reflections: 4081 (262)
Completeness(%): 99.6 (98.3)
Num Atoms: 2739
Num Waters: 410
Num Hetatoms: 0
Model mean isotropic B factor: 10.720Å²
RMSD bond length: 0.018Å
RMSD bond angle: 1.718°
Filename uploaded: cycle_best_1_refmac18.pdb (uploaded on Sep 21, 2010 4:55 PM)
Inserted: Sep 21, 2010