Re: CCL:X-mailer: FoxMail 3.0 beta 2 [cn]



 On Mon, 25 Jun 2001, bxiong wrote:
 > Dear Members:
 > because my residue in the protein is a non-normal amino acid ,
 >so the AMBER can not recognize it .I want to fit the charge . but I can
 >not determine what structure I use? Is I use the whole residue which have
 >the normal COOH and NH2 or I use the structure which deleted OH and
 >H(NH2) ? Can anyone give me suggestion about how to calculate charge of
 >it ?
 You should use the non-normal amino acid blocked by two blocking groups:
 1- C(O)CH3 connected to the N-terminal
 2- NHCH3 connected to the C-terminal
 Cheers,
 Anwar Rayan
 -------------------------------------
 Dr. Anwar Rayan
 Department of Medicinal Chemistry
 School of Pharmacy
 The Hebrew University of Jerusalem
 P.O.B. 12065
 Jerusalem 91120
 Israel
 Tel: +972-2-6757539
 Mobile: +972-55-848338
 Email: anvarr()at()md.huji.ac.il
 -------------------------------------
 >
 >
 >
 >
 > Best regards!
 >
 >           bxiong()at()mail.shcnc.ac.cn
 >
 > Xiong Bin
 > Shanghai Institute of Materia Medica, C.A.S.
 > phone:021-64311833-222(office)
 >
 >
 >
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