› 4wkb

X-ray diffraction
1.37Å resolution

Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A

Released:
DOI: 10.2210/pdb4wkb/pdb
PDB 4wkb coloured by chain and viewed from the front.
PDB 4wkb coloured by chain and viewed from the side.
PDB 4wkb coloured by chain and viewed from the top.
Source organism: Vibrio cholerae O395
Primary publication:
Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Thomas K, Cameron SA, Almo SC, Burgos ES, Gulab SA, Schramm VL
Biochemistry 54 2520-9 (2015)
PMID: 25806409

Function and Biology Details

Reaction catalysed: 
5'-deoxyadenosine + H(2)O = 5-deoxy-D-ribose + adenine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 244 amino acids
Theoretical weight: 26.23 KDa
Source organism: Vibrio cholerae O395
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A5F5R2 (Residues: 1-231; Coverage: 100%)
Gene names: VC0395_A1957, VC395_2494, mtnN, pfs
Sequence domains: Phosphorylase superfamily
Structure domains: Nucleoside phosphorylase domain

Ligands and Environments

1 bound ligand:
Ligand TDI 2 x TDI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 53.192Å b: 72.002Å c: 61.648Å
α: 90° β: 110.32° γ: 90°
R-values:
R R work R free
0.165 0.164 0.183
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Enzymatic Transition States and Drug Design.
Schramm VL. (2018)
1 more

1 mention without citation

Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Thomas et al. (2015)