NDB ID: 4ZTF    PDB ID: 4ZTF 

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Title:

CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2-PYRIDINONE AMINAL INHIBITOR

Molecular Description:

Integrase/DNA Complex

Deposited:

2015-05-14

Released:

2015-10-07

Structural Keywords:

B DOUBLE HELIX, OVERHANGING BASES, OPEN HELIX

Nucleic Acid Sequence:

Click to show/hide 2 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Raheem, I.T., Walji, A.M., Klein, D., Sanders, J.M., Powell, D.A., Abeywickrema, P., Barbe, G., Bennet, A., Clas, S.D., Dubost, D., Embrey, M., Grobler, J., Hafey, M.J., Hartingh, T.J., Hazuda, D.J., Miller, M.D., Moore, K.P., Pajkovic, N., Patel, S., Rada, V., Rearden, P., Schreier, J.D., Sisko, J., Steele, T.G., Truchon, J.F., Wai, J., Xu, M., Coleman, P.J.
Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. 
J.Med.Chem., 58, pp. 8154 - 8165, 2015.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 41 21 2

Cell Constants:

a = 159.45   b = 159.45   c = 124.09 (Ångstroms)

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

Refinement:

The structure was refined using the BUSTER-TNT program. The R value is 0.1922 for 44406 reflections in the resolution range 48.858 to 2.7 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))

XML | Coordinates only (xml format, GNU compressed(.gz))

XML | Header only (xml format, GNU compressed(.gz))