Annotation

Description

This enzyme 7-cyano-7-deazaguanine reductase or QueF from Vibrio cholerae, is responsible for the complete reduction of a nitrile (CºN) bond to a primary amine (H2C–NH2). The QueF protein is homologous to the GTP cyclohydrolases I consisting of multiple tunneling-fold (T-fold). The protein containing a point mutation of Arg-262 to Leu-262 was crystallized and soaked with the subtrate molecule preQ0. The 1.5 A dimeric structure revealed the preQ1 covalently bound to Cys-194 in the active site patch. 

Functional assignment

reductase 

Structure information

Unit cell parameters

Space Group

P 1  

Unit Cell

a=71.33Å, b=71.33Å, c=71.33Å
α=109.98, β=119.51, γ=99.50 

Solvent content

 

Matthews coefficient

 

Refinement

Data for the highest resolution shell is in parentheses.

Resolution range

30.98-1.50Å (1.52-1.50Å)  

R_all(%)

15.3 

R_work(%)

15.2 (18.3) 

R_free(%)

17.6 (21.4) 

Num. observed reflections

162798 (3112) 

Num. R_free reflections

8156 (138) 

Completeness(%)

92.3 (54.0) 

Model parameters

Num Atoms

9712  

Num Waters

1192  

Num Hetatoms

1216  

Model mean isotropic B factor

18.410Ų  

RMSD bond length

0.008Å  

RMSD bond angle

1.443°  

RMSD dihedral angle

15.819°

 

Filename uploaded

dep1.pdb (uploaded on May 14, 2011 1:01 PM)  

Inserted

May 14, 2011