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Examples of atoms with Occupancy not equal to 1

Structure with PDB ID 4ri1. Below is the part of the PDB file with these atoms.

ATOM 1318 N AGLU A 158 2.726 -16.317 -54.465 0.51 53.98 N 
ATOM 1319 N BGLU A 158 2.731 -16.311 -54.468 0.49 54.39 N 
ATOM 1320 CA AGLU A 158 1.678 -15.310 -54.332 0.51 53.10 C 
ATOM 1321 CA BGLU A 158 1.679 -15.310 -54.348 0.49 53.10 C 
ATOM 1322 C AGLU A 158 2.146 -14.206 -53.390 0.51 47.81 C 
ATOM 1323 C BGLU A 158 2.159 -14.202 -53.415 0.49 47.95 C 
ATOM 1324 O AGLU A 158 3.018 -14.433 -52.540 0.51 48.33 O 
ATOM 1325 O BGLU A 158 3.052 -14.428 -52.591 0.49 46.70 O 
ATOM 1326 CB AGLU A 158 0.385 -15.927 -53.806 0.51 54.95 C 
ATOM 1327 CB BGLU A 158 0.395 -15.933 -53.811 0.49 55.08 C 

Examle of undetermined aminoacid residues

Structure with PDB ID 5YZL. Below is the part of the PDB file with 4 undetermined amonoacid residues.

REMARK 465 MISSING RESIDUES                           
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN  
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465                                                  
REMARK 465   M RES C SSSEQI                                 
REMARK 465     MET A     0                                  
REMARK 465     ALA A     1                                  
REMARK 465     LYS A     2                                  
REMARK 465     GLY A     3                                  
REMARK 465     GLY A     4
            

Example of not matching UNIPROT sequence with the crystallized one

Structure with PDB ID 5YWM. Below is the part of the PDB file with 5 amonoacid residues that were crystallized, but are abscent from UNIPROT sequence.

DBREF  5XWM A    1   377  UNP    Q9BS26   ERP44_HUMAN     30    406  
DBREF  5XWM B    1   377  UNP    Q9BS26   ERP44_HUMAN     30    406
DBREF  5XWM C    1   377  UNP    Q9BS26   ERP44_HUMAN     30    406
DBREF  5XWM D    1   377  UNP    Q9BS26   ERP44_HUMAN     30    406
SEQADV 5XWM GLY A   -5  UNP  Q9BS26              EXPRESSION TAG    
SEQADV 5XWM SER A   -4  UNP  Q9BS26              EXPRESSION TAG    
SEQADV 5XWM HIS A   -3  UNP  Q9BS26              EXPRESSION TAG    
SEQADV 5XWM MET A   -2  UNP  Q9BS26              EXPRESSION TAG    
SEQADV 5XWM ALA A   -1  UNP  Q9BS26              EXPRESSION TAG

Worst and best B-factor in the structure

Structure with PDB ID 6CNW. Below is the part of the PDB file with records for the two atoms with worst and best B-factor(shown in bold).

ATOM 489 C TYR A 35 8.179 -23.503 2.009 1.00 5.11 C
HETATM 1807 O4 PEG A 204 22.262 -22.692 4.095 1.00 86.55 O

Term 7

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© Artemiy Polozhintsev (Артемий Положинцев) 2018