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Structure of IDP91140

1.5 Angstrom Crystal Structure of the Complex of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Nickel and two Histidines.

Edit deposit information
CSGID target
IDP91140 
PDB Id
3RQT (NCBI MMDB
Authors
G.Minasov,A.Halavaty,L.Shuvalova,I.Dubrovska,J.Winsor,O.Kiryukhina,F.Falugi,M.Bottomley,F.Bagnoli,G.Grandi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Apr 28, 2011 
Release Date
May 11, 2011 

Annotation

Description
ABC transporters utilize the energy of ATP hydrolysis to transport various substrates across cellular membranes. In prokaryotes, importers mediate the uptake of nutrients into the cell. The substrates that can be transported include ions, amino acids, peptides, sugars, and other molecules that are mostly hydrophilic. The membrane-spanning region of the ABC transporter protects hydrophilic substrates from the lipids of the membrane bilayer thus providing a pathway across the cell membrane. Transporters are extremely vital in cell survival such that they function as protein systems that counteract any undesirable change occurring in the cell. For instance, a potential lethal increase in osmotic strength is counterbalanced by activation of osmosensing ABC transporters that mediate uptake of solutes. Other than functioning in transport, some bacterial ABC proteins are also involved in the regulation of several physiological processes. ABC transporters are known to play a crucial role in the development of multidrug resistance. 
Functional assignment
 

Ligands

Ligand code Name Ligand type

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=61.94Å, b=66.76Å, c=115.49Å
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
29.91-1.50Å (1.54-1.50Å)  
Rall(%)
14.3 
Rwork(%)
14.1 (18.7) 
Rfree(%)
17.0 (20.6) 
Num. observed reflections
77232 (5601) 
Num. Rfree reflections
3861 (299) 
Completeness(%)
99.8 (99.6) 

Model parameters

Num Atoms
4044  
Num Waters
736  
Num Hetatoms
903  
Model mean isotropic B factor
15.240Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.588°  
Filename uploaded
3RQT.pdb (uploaded on May 25, 2011 12:40 PM)  
Inserted
May 25, 2011