phosphorilated serine

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Sat Sep 17 2011 - 11:01:42 CDT

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Dear NAMD users,

Where can I find CHARMM parameters for the phosphorilated SER residue
(SEP). to be used in NAMD. In original PDB file this residue is
recognized as HETATM (PDB entries 3HRC and 3HRF):

HETATM 1316 N SEP A 241 33.165 -7.257 -26.897 1.00
13.82 N
HETATM 1317 CA SEP A 241 33.406 -7.703 -25.520 1.00
14.05 C
HETATM 1318 CB SEP A 241 32.091 -7.890 -24.782 1.00
14.24 C
HETATM 1319 OG SEP A 241 31.379 -6.668 -24.750 1.00
14.64 O
HETATM 1320 C SEP A 241 34.194 -9.000 -25.496 1.00
14.44 C
HETATM 1321 O SEP A 241 33.950 -9.907 -26.313 1.00
14.90 O
HETATM 1322 P SEP A 241 30.035 -6.748 -25.619 1.00
13.76 P
HETATM 1323 O1P SEP A 241 28.989 -7.768 -24.943 1.00
14.81 O
HETATM 1324 O2P SEP A 241 29.454 -5.270 -25.647 1.00
14.81 O
HETATM 1325 O3P SEP A 241 30.292 -7.241 -27.118 1.00
14.58 O

Thanks

Branko

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