Structure of IDP91245

Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+

Edit deposit information
CSGID target
IDP91245 
PDB Id
4IIN (NCBI MMDB
Authors
J.Hou,T.Osinski,H.Zheng,I.Shumilin,I.Shabalin,S.Shatsman,W.F.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Jing Hou 
Responsible lab
University of Virginia 
Deposition Date
Dec 20, 2012 
Release Date
Jan 09, 2013 

Annotation

Description
fabG, catalyzes the first of the two reduction steps in the elongation cycle of fatty acid synthesis using NADP(H) as a cofactor. 
Functional assignment
fatty acid synthesis 

Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological
K crystallization
ACT crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 2  
Unit Cell

a=128.92Å, b=112.09Å, c=70.66Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
43.87-2.40Å (2.46-2.40Å)  
Rall(%)
21.8 
Rwork(%)
21.7 (24.5) 
Rfree(%)
25.5 (28.4) 
Num. observed reflections
40086 (1834) 
Num. Rfree reflections
2004 (75) 
Completeness(%)
93.4 (61.8) 

Model parameters

Num Atoms
6963  
Num Waters
168  
Num Hetatoms
358  
Model mean isotropic B factor
23.560Å2  
RMSD bond length
0.013Å  
RMSD bond angle
1.546°  
Filename uploaded
4IIN.pdb (uploaded on Jan 09, 2013 1:42 PM)  
Inserted
Jan 09, 2013