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Write down a python script to extract coordinates of aromatic residues of chain A from a protein data bank file (PDB ID: 1ABC.pdb)

Question

Write down a python script to extract coordinates of aromatic residues of chain A from a protein data bank file (PDB ID: 1ABC.pdb)

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Solution

Sure, here is a simple Python script using the Biopython library to extract the coordinates of aromatic residues from chain A of a PDB file.

from Bio.PDB import PDBParser

# Define aromatic residues
aromatic_residues = ['PHE', 'TYR', 'TRP']

# Initialize parser
parser = PDBParser()

# Load structure
structure = parser.get_structure('1ABC', '1ABC.pdb')

# Iterate over all models in the structure
for model in structure:
    # Iterate over all chains in the model
    for chain in model:
        # Check if chain is A
        if chain.get_id() == 'A':
            # Iterate over all residues in chain
            for residue in chain:
                # Check if residue is aromatic
                if residue.get_resname() in aromatic_residues:
                    # Iterate over all atoms in residue
                    for atom in residue:
                        # Print atom coordinates
                        print(atom.get_coord())

This script will print the coordinates of all atoms in aromatic residues in chain A of the protein structure. Please note that you need to have the Biopython library installed and the PDB file (1ABC.pdb) in the same directory as your script. You can install Biopython using pip:

pip install biopython

Also, please replace '1ABC.pdb' with your actual pdb file name.

This problem has been solved

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