global DNA curvature analysis

[xiaolei]

Dear Dr. Lu,
I know you have answered many times in the topic of how to calculate global DNA curvature, as my background is largely biology with almost none computational background, I feel hard to understand when you explain it in a computational or mathematical way about this topic in the forum. I am asking simply that: Is it a way to input a protein/DNA complex structure coordinate (PDB) into w3DNA server or 3DNA program on user's computer and get a global DNA curvature (DNA bending) results, for example such as in protein/DNA complexes papers phrases like "The X-ray structure shows that the DNA is bent overall to 17 􏰆degree",  I'd like to know how to get the overall bent number ( the "17 degree" in my example)  from w3DNA or 3DNA program.

Thanks ahead!

[xiangjun]

Does the FAQ item "How to calculate DNA bending angle?" (http://forum.x3dna.org/faqs/how-to-calculate-dna-bending-angle/) help? See also the 2008 3DNA Nature Protocols paper which contains a concrete example with detailed script/datafile on exectly this topic.

HTH,

Xiang-Jun

[bciezah1]

Dear Dr. Xiang-Jun,

I hope this email finds you well. I have a question. I was a following the 3DNA USER GUIDE (http://www.csb.yale.edu/userguides/datamanip/3dna/x3dna.pdf), by the way is very useful, and in page 14 I found this statement: The G+C rich end adopts the A-DNA conformation while the A+T rich part has the B-DNA conformation. As a consequence, this DNA is non-linear, i.e., curved. . Regarding this statement, the USER GUIDE refers to  the work of Pouderoyen et al (1997) but I reviewed the paper and they did not mentioned this statement. I wonder if maybe you can give me a reference about this statement please, to be honest, for my work this information will be very important.

Thank you very much,

Basilio.

[xiangjun]

Hi Basilio,

I'm surprised to know that Yale is still holding a version of the 3DNA v1.5 User Manual I wrote well more than ten years ago.

The Pouderoyen et al.publication referred to there is about 1tc3, which contains a A-B junction. See also the paper "A-form conformational motifs in ligand-bound DNA structures" where 1tc3 is analyzed from a different perspective.

HTH,

Xiang-Jun

[bciezah1]

Really nice paper! Thank you very much!

Best wishes,

Basilio.