thionate moeity

S.Ravichandran ravi at
Mon Sep 20 10:34:34 EST 1999

Hello all,

We are currently refining a 1.7A structure of a thiol protease 
(cystiene proteases). 

The active site cystiene has an additional moeity attached, and 
we wanted to define the moeity in the dictionary file (either 
in CNS/X-PLOR or REFMAC). However, there is no 'reference' 
coordinate available for this moeity in Gerard's HiCup Hetatom 

The moeity is 'sodium tetrathionate dihydrate'

chemical formula -> Na2S4O6.2H2O

The moeity forms a covalent linkage to the active site cystiene
to form the complex, viz...


(where the "Protein-S" part is the cysteine Sulfur atom at the
active site!)

Hope someone suggests us for accessing the database for this

Thanks in advance,

	 |                   S.Ravichandran                     |  
         |	        Senior Research Fellow -2               |
         |	Crystallography & Molecular Biology Division    |
         |	     Saha Institute of Nuclear Physics          |
 	 |            Sector-I, Block-AF, Bidhan Nagar          |
	 |		 Calcutta - 700 064, INDIA.             |
 	 |	      Email: ravi at            |
	 |     URL:         |
 	 |     Phone: 091-033-3375345-49 (5 lines) Ext.308      |
         |     Fax:   091-033-3374637                           |

"Stealing one's knowledge is plagiarism, from many is mere research!!!!"

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