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ANALYSIS FOR PRASEODYMIUM (III) CHLORIDE             [LIN] 
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Formula           : PR1,CL3                                            
Solution chemistry: PR1 +3                                             
All distances below are to the element PR [ praseodymium ]


PROTEIN:  1FDX FERREDOXIN (PEPTOCOCCUS AEROGENES)                  


Bound Ligands :  FES FE/S (INORGANIC) CLUSTER NUMBER 1:
Hev Atom conc.: 	  40.000 mM  
Precip & conc.: 	   3.300 M	AMMONIUM SULPHATE                                   
Buffer & conc.: 	   0.700 M	TRIS/HCL                                            
Addict & conc.: 	          	                                                    
Comments      :                                                     
Reference     : ADMAN et.al. 1973 :                                                                                                                                     
pH    7.5   Soak time =     72.00 Hours   Reference number = 123.02  
Site 1:   8  CYS   O     4.84 ( 7.06) . . . [Het: FESFE1  - CB   3.30]  
      :   9  ILE   O     5.64 ( 5.37) . . . [Het: FES S2  - N    3.70]  
      :  10  ALA   N     5.81 ( 6.48) . . . [Het: FES S1  - CA   4.00]  
Site 2:   6  ASP   OD2   4.19 ( 6.76) . . .  
      :   7  SER   OG    4.88 ( 5.20) . . .  
Site 3:   6  ASP   OD1   4.85 ( 5.58) . . .  
      :  32  ALA   O     5.07 ( 7.24) . . .  
      :  33  ASP   OD1   5.86 ( 3.66) . . .  
      :  34  SER   C     5.85 ( 5.11) . . .  
Site 4:  54  ASP   O     4.84 ( 7.28) . . .                             
      :  15  LYS   O     5.09 ( 7.07) . . .                             
      :  16  PRO   O     5.68 ( 5.15) . . .                             
      :  18  CYS   O     4.69 ( 6.86) . . . [Het: FESFE1  - CA   3.90]  
      :  21  ASN   OD1   4.76 ( 5.02) . . .                             
Site 5:   6  ASP   OD2   5.83 ( 8.84) . . .  
      :  33  ASP   OD1   5.45 ( 5.79) . . .  
      :  26  SER   OG    5.51 ( 7.36) . . .  
Site 6:  48  GLY   O     5.06 ( 6.21) . . .                             
      :  50  PRO   O     5.53 ( 7.39) . . . [Het: FES S3  - CG   3.60]  
      :  51  ASN   OD1   2.73 ( 5.33) . . .                             
      :  52  PRO   CD    5.66 ( 7.67) . . .                             
      :  16  PRO   O     4.91 ( 6.08) . . .                             
      :  17  GLU   OE1   3.59 ( 5.68) . . .                             
Site 7:   3  VAL   CG2   5.91 ( 6.11) . . .                             
      :   4  ILE   CD1   4.31 ( 3.43) . . . [Het: FES S3  - CG1  3.60]  
      :   5  ASN   O     4.00 ( 4.57) . . .                             
      :   6  ASP   N     5.65 ( 6.28) . . .                             
      :   8  CYS   SG    5.25 ( 6.38) . . . [Het: FESFE1  - CB   3.30]  
      :  27  ILE   CD1   2.67 ( 5.37) . . .                             
      :  28  TYR   O     2.27 ( 4.40) . . . [Het: FES S1  - CG   3.60]  
      :  29  ALA   CB    5.32 ( 4.47) . . .                             
      :  30  ILE   N     5.90 ( 7.07) . . . [Het: FES S2  - CG2  3.90]  
      :  36  ILE   CD1   5.71 ( 6.40) . . . [Het: FES S1  - N    3.70]