NDB ID: NA1590    PDB ID: 4DOB 

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Title:

TERNARY COMPLEX OF DNA POLYMERASE BETA WITH A DIDEOXY TERMINATED PRIMER AND 2'-DEOXYGUANOSINE 5'-BETA, GAMMA-MONOCHLOROROMETHYLENE TRIPHOSPHATE: STEREOSELECTIVE BINDING OF R-ISOMER

Molecular Description:

DNA polymerase beta (E.C.2.7.7.7
4.2.99.-)/DNA complex

Deposited:

2012-02-09

Released:

2012-06-13

Structural Keywords:

B DOUBLE HELIX, NICKED

Nucleic Acid Sequence:

Click to show/hide 3 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Wu, Y., Zakharova, V.M., Kashemirov, B.A., Goodman, M.F., Batra, V.K., Wilson, S.H., McKenna, C.E.
Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases 
J.Am.Chem.Soc., 134, pp. 8734 - 8737, 2012.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 1 21 1

Cell Constants:

a = 50.601   b = 80.403   c = 55.634 (Ångstroms)

α = 90.0   β = 107.72   γ = 90.0 (degrees)

Refinement:

The structure was refined using the PHENIX program. The R value is 0.209 for 24695 reflections in the resolution range 21.36 to 2.05 Ångstroms with Fobs >  1.33 sigma(Fobs) and with I >  0.0 sigma(I)

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

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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))

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