Subject: [CCL] PDB file of 1PRC

From: Ruhong Zhou x-2094 <[email-masked]>
Date: Tue, 30 May 1995 10:33:57 -0400 (EDT)

Dear Netters:

Did anybody in the net use Brookheaven PDB file of the photosynthetic 
reaction center 1PRC (source Rhodopseudomonas Viridis)?  I found 
that there were some atom coordinates missing in the file by mistake.

In the subunit 1PRC_C, there should be 336 residues, but in the file
there are only 333 residues and without a TER. Here is part of the file:
    :
    :
ATOM   2593  CD1 ILE C 331      83.723  19.780  29.899  1.00 44.87 1PRC2782 
ATOM   2594  N   LYS C 332      82.017  20.897  35.213  1.00 61.95 1PRC2783 
ATOM   2595  CA  LYS C 332      82.015  20.691  36.677  1.00 68.43 1PRC2784 
ATOM   2596  C   LYS C 332      82.770  19.373  36.966  1.00 68.36 1PRC2785 
ATOM   2597  O   LYS C 332      82.240  18.265  36.690  1.00 63.24 1PRC2786 
ATOM   2598  CB  LYS C 332      80.647  20.818  37.407  1.00 67.85 1PRC2787
ATOM   2599  CG  LYS C 332      79.883  22.119  37.144  0.00  0.00 1PRC2788
ATOM   2600  CD  LYS C 332      78.512  22.160  37.820  0.00  0.00 1PRC2789
ATOM   2601  CE  LYS C 332      77.757  23.474  37.643  0.00  0.00 1PRC2790
ATOM   2602  NZ  LYS C 332      76.446  23.483  38.316  0.00  0.00 1PRC2791
ATOM   2603  N   ALA C 333      84.000  19.399  37.257  1.00 72.71 1PRC2792 !!! 
ATOM   2629  N   ALA L   1     128.034  98.966  20.624  1.00 49.27 1PRC2793 
ATOM   2630  CA  ALA L   1     126.624  98.665  20.532  1.00 39.50 1PRC2794 
ATOM   2631  C   ALA L   1     126.214  98.382  19.102  1.00 34.77 1PRC2795 
ATOM   2632  O   ALA L   1     125.178  97.786  18.870  1.00 42.36 1PRC2796 
ATOM   2633  CB  ALA L   1     125.810  99.815  21.091  1.00 51.60 1PRC2797 
ATOM   2634  N   LEU L   2     127.028  98.872  18.156  1.00 28.93 1PRC2798
      :
      :

Absoulutely, it is not continuous in the ATOM numbers (from 2603 to
2629). There are 26 atoms missing. Did anybody find this before and fix
it?

Thanks in advance.

Ruhong Zhou

Dept. of Chemistry
Coulumbia University
New York, NY10027