NDB ID: NA1128    PDB ID: 3S3M 

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Title:

CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS (PFV) INTASOME IN COMPLEX WITH MAGNESIUM AND DOLUTEGRAVIR (S/GSK1349572)

Molecular Description:

PFV integrase/DNA complex

Deposited:

2011-05-18

Released:

2011-07-13

Structural Keywords:

B DOUBLE HELIX, OVERHANGING BASES

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Hare, S., Smith, S.J., Metifiot, M., Jaxa-Chamiec, A., Pommier, Y., Hughes, S.H., Cherepanov, P.
Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). 
Mol.Pharmacol., 80, pp. 565 - 572, 2011.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 41 21 2

Cell Constants:

a = 160.14   b = 160.14   c = 123.43 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.2074 for 55629 reflections in the resolution range 39.148 to 2.49 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)

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Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format) 1

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

XML | Complete with coordinates (xml format, GNU compressed(.gz))

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