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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.

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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

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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
 
Slides:
  • Asymmetric unit
  • Biological unit
  • B-factors distribution
  • B-factors distribution on the surface
  • Homolog superposition
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    secondary structure, N to C, molecule

    Ligands

    Ligand code Name Ligand type

    Structure information

    View structure information | Edit structure information (upload a PDB file)

    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 (Å2)
    15.240  
    RMSD bond length (Å)
    0.012  
    RMSD bond angle
    1.588°  
    Filename uploaded
    3RQT.pdb (uploaded on May 25, 2011 12:40 PM)  
    Inserted
    May 25, 2011