Dear Yoga, That is not really a Chimera question… maybe you can try searching some structure databases: RCSB PDB search <http://www.rcsb.org/pdb/secondary.do?p=v2/secondary/search.jsp#search_advanced-search> There is also the Cambridge Structural Database for small molecules. <https://www.ccdc.cam.ac.uk/> Good luck, Elaine
On May 26, 2017, at 12:44 PM, Yogavel Manickam <myogavel@icgeb.res.in> wrote:
Dear Elaine, Recently I have determined this sulfide bond motif containing structure and I would like to know that any exiting PDB having this motif. Thanks Yoga
----- Original Message ----- From: "Elaine Meng" <meng@cgl.ucsf.edu> To: "Yogavel Manickam" <myogavel@icgeb.res.in> Cc: "chimera-users@cgl.ucsf.edu BB" <chimera-users@cgl.ucsf.edu> Sent: Friday, May 26, 2017 11:58:56 PM Subject: Re: [Chimera-users] Tetrahedral Sulphide bonds
Dear Yoga, What is the question? Do you already have this structure? What are you trying to do with Chimera? Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On May 26, 2017, at 10:21 AM, Yogavel Manickam <myogavel@icgeb.res.in> wrote:
Dear all, Is there any example for tetrahedral sulphide bonds.
CB-S1B (0.7) |1.8 A CB-S2....S1A*...S3-CB 2A . 2A . 2A . S4 | CB
S1 containing Cys adopt alternate conformation (S1A and S1B) with occupies of 0.7 and 0.3.
S1A position occupied by Zn ion with ~0.7.
Any input will be appreciated.
Thanks Yoga