MOLECULAR MODELLING AND STRUCTURAL  ANALYSIS OF PAPAIN 

   

               

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Introduction

Secondary Structure

Hydrophobicity of Papain

Alignment of Papain
against A. thaliana

Papain compared to A. thaliana protein

Homology Modeling

Animated  Models

Graphs and Spreadsheet


          Structure Neighbors and 3D alignments for 1CVZ (papain) Chain A(Size=212)

             A search for protein with similar structure to the of 1CVZ chain A was carried out. The result obtained ranged from 6.8% - 100% sequence similarity. 98.5 - 100% similarity was obtained with otherr cysteine proteinase obtained from Carica Papaya. However,since the objective is to check for sequence similarity in organisms other than Carica Papaya,only those are shown in table 1 below.

ID
Z-score
RMSD(Å)
Seq.(%)
Aligned/size
Gap
Name
Source
1CVZ:A
QUERY -
-
-
-
Papain
Carica Papaya                            (1)
1MEM:A
7.2
 1.1
44.0
207/215
12
CathepsinK
Kiwi Fruit or Chinese Gooseberry  (2)
2ACT
7.1
0.9
48.5
204/220
20
Actinidin
Homo sapiens (3)
1F2C:A
7.1
1.2
36.5
203/215
19
Cruzain
Trypanasoma cruzi  (4)
8PCH:A
7.1
1.4
42.6
202/233
21
Cathepsin H Sus scrofa(pig)                 (5)
                                                                                                       Table: 1

                                                                                                    GENE TREE ( 6)
The tree was generated in Clustalw tool available at  EBI (7).



SEQUENCE ALIGNMENT




3D STRUCTURAL ALIGNMENT OF 1CVZ(PAPAIN) WITH CATHEPSIN K (Fig.1 below)12


Fig. 1



3D STRUCTURAL ALIGNMENT OF 1CVZ(PAPAIN) WITH 2ACT(Fig.2 below)13


                                                                                                Fig. 2



  3D STRUCTURAL ALIGNMENT OF ALL THE PROTEINS SHOWN IN TABLE 1 ABOVE(Fig.3 below)
               


 Fig.3

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