NDB ID: AD0057    PDB ID: 2AXB 

---

Title:

CRYSTAL STRUCTURE ANALYSIS OF A 2-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE MODIFIED OLIGODEOXYNUCLEOTIDE DUPLEX

Molecular Description:

5'-D(*GP*CP*GP*TP*A)-R(P*(S2M))-D(P*AP*CP*GP*C)-3'

Deposited:

2005-09-04

Released:

2005-11-01

Structural Keywords:

A DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Diop-Frimpong, B., Prakash, T.P., Rajeev, K.G., Manoharan, M., Egli, M.
Stabilizing contributions of sulfur-modified nucleotides: crystal structure of a DNA duplex with 2'-O-[2-(methoxy)ethyl]-2-thiothymidines. 
Nucleic Acids Res., 33, pp. 5297 - 5307, 2005.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 21 21 21

Cell Constants:

a = 25.251   b = 45.002   c = 44.971 (Ångstroms)

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

Refinement:

The structure was refined using the REFMAC program. The R value is 0.19589 for 6304 reflections in the resolution range 12.9 to 1.61 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)

Download Data:

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))