› 4rs3

X-ray diffraction
1.4Å resolution

Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol

Released:
DOI: 10.2210/pdb4rs3/pdb
PDB 4rs3 coloured by chain and viewed from the front.
PDB 4rs3 coloured by chain and viewed from the side.
PDB 4rs3 coloured by chain and viewed from the top.
Source organism: Mycolicibacterium smegmatis MC2 155
Primary publication:
A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
Huang H, Carter MS, Vetting MW, Al-Obaidi N, Patskovsky Y, Almo SC, Gerlt JA
J. Am. Chem. Soc. 137 14570-3 (2015)
PMID: 26560079

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Xylitol-binding protein Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 34.61 KDa
Source organism: Mycolicibacterium smegmatis MC2 155
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0QYB3 (Residues: 25-349; Coverage: 99%)
Gene names: MSMEG_3598, MSMEI_3515, xypA
Sequence domains: Periplasmic binding protein domain
Structure domains: Rossmann fold

Ligands and Environments

5 bound ligands:
Ligand XYL 1 x XYL
Ligand ZN 11 x ZN
Ligand IMD 4 x IMD
Ligand CL 16 x CL
Ligand ACT 4 x ACT
1 modified residue:
Ligand MSE 9 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 62.841Å b: 63.07Å c: 73.134Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.125 0.124 0.163
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

'Democratized' genomic enzymology web tools for functional assignment.
Zallot et al. (2018)
2 more