Bioformatics Homework 7

1.   (1) David Liu would like to know the possible functional sites of his new protein (from hw 6).
           Please help him to identify any biologically significant sites or patterns.
      (2) Please help him to analyze the enzymatic digestion by trypsin and endoproteinase Glu-C.
      (3) Calculate the molecular weight of this protein.

2. Pick up one bioinformatic site and prepare to introduce to your classmates on 1/8.

Solution:

1. The polypeptide sequence:

MLECNELIPLFYETCPAGENICYEMFMVATPKVPCERGCIDVCPESSLIV KYVCCNTDRCQ*


(1)Biologically Significant Sites or Patterns:

ProSite Search Result

     PS00005 (PDOC00005) Protein kinase C phosphorylation site. 
          Pattern: [ST]-x-[RK].
          Matching residues 30-32: MFMVA TPK VPCER
          Matching residues 57-59: YVCCN TDR CQ

     PS00272 (PDOC00245) Snake toxins signature. 
          Pattern: G-C-x(1,3)-C-P-x(8,10)-C-C-x(2)-[PDEN].
          Matching residues 38-58: VPCER GCIDVCPESSLIVKYVCCNTD RCQ

(2)Enzymatic Digestion:

(i)Trypsin

Enzymatic cleavage of 

      1   *   10    *   20    *   30    *   40    *   50
    1 MLECNELIPLFYETCPAGENICYEMFMVATPKVPCERGCIDVCPESSLIV
   51 KYVCCNTDRCQ



Cleavage at residues:

K/    (Hydrolysis on the C-terminal side of K)
R/    (Hydrolysis on the C-terminal side of R)


Average mass


  Fragment    Residues                  Mass     B&B
      1        1  -    32   -/M...K/V   3701.41  -265
    1 -  2     1  -    37   -/M...R/G   4286.11  -212
    1 -  3     1  -    51   -/M...K/Y   5730.85  -198
    1 -  4     1  -    59   -/M...R/C   6685.93  -154
    1 -  5     1  -    61   -/M...Q/-   6917.21  -127
      2       33  -    37   K/V...R/G    602.71   128
    2 -  3    33  -    51   K/V...K/Y   2047.45   -85
    2 -  4    33  -    59   K/V...R/C   3002.53   -22
    2 -  5    33  -    61   K/V...Q/-   3233.81    24
      3       38  -    51   R/G...K/Y   1462.75  -162
    3 -  4    38  -    59   R/G...R/C   2417.84   -56
    3 -  5    38  -    61   R/G...Q/-   2649.11     3
      4       52  -    59   K/Y...R/C    973.10   127
    4 -  5    52  -    61   K/Y...Q/-   1204.37   235
      5       60  -    61    R/CQ/-      249.29   665


Sorted according to mass

  Fragment    Residues                  Mass     B&B
      5       60  -    61    R/CQ/-      249.29   665
      2       33  -    37   K/V...R/G    602.71   128
      4       52  -    59   K/Y...R/C    973.10   127
    4 -  5    52  -    61   K/Y...Q/-   1204.37   235
      3       38  -    51   R/G...K/Y   1462.75  -162
    2 -  3    33  -    51   K/V...K/Y   2047.45   -85
    3 -  4    38  -    59   R/G...R/C   2417.84   -56
    3 -  5    38  -    61   R/G...Q/-   2649.11     3
    2 -  4    33  -    59   K/V...R/C   3002.53   -22
    2 -  5    33  -    61   K/V...Q/-   3233.81    24
      1        1  -    32   -/M...K/V   3701.41  -265
    1 -  2     1  -    37   -/M...R/G   4286.11  -212
    1 -  3     1  -    51   -/M...K/Y   5730.85  -198
    1 -  4     1  -    59   -/M...R/C   6685.93  -154
    1 -  5     1  -    61   -/M...Q/-   6917.21  -127

(ii)Endoproteinase Glu-C

Enzymatic cleavage of


      1   *   10    *   20    *   30    *   40    *   50
    1 MLECNELIPLFYETCPAGENICYEMFMVATPKVPCERGCIDVCPESSLIV
   51 KYVCCNTDRCQ



Cleavage at residues:

E/    (Hydrolysis on the C-terminal side of E) 




Average mass


  Fragment    Residues                  Mass     B&B
      1        1  -     3   -/M...E/C    391.49  -600
    1 -  2     1  -     6   -/M...E/L    737.85    -6
    1 -  3     1  -    13   -/M...E/T   1613.92  -569
    1 -  4     1  -    19   -/M...E/N   2172.53  -262
    1 -  5     1  -    24   -/M...E/M   2795.23  -254
    1 -  6     1  -    36   -/M...E/R   4129.92  -237
    1 -  7     1  -    45   -/M...E/S   5103.06  -168
    1 -  8     1  -    61   -/M...Q/-   6917.21  -127
      2        4  -     6   E/C...E/L    364.38   586
    2 -  3     4  -    13   E/C...E/T   1240.44  -560
    2 -  4     4  -    19   E/C...E/N   1799.06  -199
    2 -  5     4  -    24   E/C...E/M   2421.76  -205
    2 -  6     4  -    36   E/C...E/R   3756.45  -204
    2 -  7     4  -    45   E/C...E/S   4729.59  -137
    2 -  8     4  -    61   E/C...Q/-   6543.73  -103
      3        7  -    13   E/L...E/T    894.08 -1051
    3 -  4     7  -    19   E/L...E/N   1452.69  -380
    3 -  5     7  -    24   E/L...E/M   2075.39  -337
    3 -  6     7  -    36   E/L...E/R   3410.08  -284
    3 -  7     7  -    45   E/L...E/S   4383.22  -193
    3 -  8     7  -    61   E/L...Q/-   6197.37  -140
      4       14  -    19   E/T...E/N    576.63   401
    4 -  5    14  -    24   E/T...E/M   1199.33   117
    4 -  6    14  -    36   E/T...E/R   2534.02   -50
    4 -  7    14  -    45   E/T...E/S   3507.16    -5
    4 -  8    14  -    61   E/T...Q/-   5321.30    -8
      5       20  -    24   E/N...E/M    640.72  -224
    5 -  6    20  -    36   E/N...E/R   1975.41  -210
    5 -  7    20  -    45   E/N...E/S   2948.55  -100
    5 -  8    20  -    61   E/N...Q/-   4762.69   -66
      6       25  -    36   E/M...E/R   1352.71  -204
    6 -  7    25  -    45   E/M...E/S   2325.85   -70
    6 -  8    25  -    61   E/M...Q/-   4139.99   -45
      7       37  -    45   E/R...E/S    991.16   107
    7 -  8    37  -    61   E/R...Q/-   2805.30    30
      8       46  -    61   E/S...Q/-   1832.16   -12


Sorted according to mass

  Fragment    Residues                  Mass     B&B
      2        4  -     6   E/C...E/L    364.38   586
      1        1  -     3   -/M...E/C    391.49  -600
      4       14  -    19   E/T...E/N    576.63   401
      5       20  -    24   E/N...E/M    640.72  -224
    1 -  2     1  -     6   -/M...E/L    737.85    -6
      3        7  -    13   E/L...E/T    894.08 -1051
      7       37  -    45   E/R...E/S    991.16   107
    4 -  5    14  -    24   E/T...E/M   1199.33   117
    2 -  3     4  -    13   E/C...E/T   1240.44  -560
      6       25  -    36   E/M...E/R   1352.71  -204
    3 -  4     7  -    19   E/L...E/N   1452.69  -380
    1 -  3     1  -    13   -/M...E/T   1613.92  -569
    2 -  4     4  -    19   E/C...E/N   1799.06  -199
      8       46  -    61   E/S...Q/-   1832.16   -12
    5 -  6    20  -    36   E/N...E/R   1975.41  -210
    3 -  5     7  -    24   E/L...E/M   2075.39  -337
    1 -  4     1  -    19   -/M...E/N   2172.53  -262
    6 -  7    25  -    45   E/M...E/S   2325.85   -70
    2 -  5     4  -    24   E/C...E/M   2421.76  -205
    4 -  6    14  -    36   E/T...E/R   2534.02   -50
    1 -  5     1  -    24   -/M...E/M   2795.23  -254
    7 -  8    37  -    61   E/R...Q/-   2805.30    30
    5 -  7    20  -    45   E/N...E/S   2948.55  -100
    3 -  6     7  -    36   E/L...E/R   3410.08  -284
    4 -  7    14  -    45   E/T...E/S   3507.16    -5
    2 -  6     4  -    36   E/C...E/R   3756.45  -204
    1 -  6     1  -    36   -/M...E/R   4129.92  -237
    6 -  8    25  -    61   E/M...Q/-   4139.99   -45
    3 -  7     7  -    45   E/L...E/S   4383.22  -193
    2 -  7     4  -    45   E/C...E/S   4729.59  -137
    5 -  8    20  -    61   E/N...Q/-   4762.69   -66
    1 -  7     1  -    45   -/M...E/S   5103.06  -168
    4 -  8    14  -    61   E/T...Q/-   5321.30    -8
    3 -  8     7  -    61   E/L...Q/-   6197.37  -140
    2 -  8     4  -    61   E/C...Q/-   6543.73  -103
    1 -  8     1  -    61   -/M...Q/-   6917.21  -127

(3)Molecular Weight:

Average mass            Molecular mass = 6917.21
Monoisotopic mass       Molecular mass = 6912.08