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Structure of IDP91095

2.3 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii.

Edit deposit information
CSGID target
IDP91095 
PDB Id
3POL (NCBI MMDB
Authors
G.Minasov,A.Halavaty,L.Shuvalova,I.Dubrovska,J.Winsor,L.Papazisi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Nov 22, 2010 
Release Date
Dec 08, 2010 

Annotation

Description
Lipopolysaccharide 3-Deoxy-D-manno-octulosonic Acid (KDO) is an essential component of the lipopolysaccharide (LPS) layer. Cells defective in KDO biosynthesis have a compromised LPS and are usually less pathogenic and more susceptible to antibiotics. The enzyme 3-deoxy-manno-octulosonate cytidylyltransferase (CMP-KDO synthetase; CKS) catalyzes the activation of 3-deoxy-D-manno-octulosonate (or 2-keto-3-deoxy-manno-octonic acid; KDO) by forming CMP-KDO. The enzymes belong to cytidylyltransferase protein family being a part of GT-A clan that contains diverse glycosyltransferases that possess a Rossmann like fold. KDO is an essential component of lipopolysaccharides (LPS) in Gram-negative bacteria. Incorporation of KDO into LPS requires its activation by 3-deoxy-manno-octulosonate CKS. CKS is an attractive target for the development of antibacterial agents. 
Functional assignment
 

Ligands

Ligand code Name Ligand type

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=107.70Å, b=40.83Å, c=56.49Å
α=90.00, β=97.23, γ=90.00 
Solvent content
37.7  
Matthews coefficient
1.97  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.02-2.30Å (2.36-2.30Å)  
Rall(%)
18.1 
Rwork(%)
17.6 (20.8) 
Rfree(%)
22.3 (32.3) 
Num. observed reflections
10895 (789) 
Num. Rfree reflections
1067 (82) 
Completeness(%)
98.7 (99.4) 

Model parameters

Num Atoms
2076  
Num Waters
83  
Num Hetatoms
83  
Model mean isotropic B factor
35.240Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.489°  
Filename uploaded
rcsb062628.pdb (uploaded on Dec 06, 2010 1:16 PM)  
Inserted
Dec 06, 2010