Related Experiment Video
Updated: Jul 18, 2026

Modeling an Enzyme Active Site using Molecular Visualization Freeware
Published on: December 25, 2021
[Computer modeling of cytochrome P450 2E1 three-dimensional structure]
Abstract:
A computer model of human cytochrome P450 2E1 (CYP2E1) three-dimensional structure and active site was constructed based on homology with crystallographic coordinates of CYP2C5 and CYP2C9. A high degree of secondary structure homology for human, mouse, rat and rabbit CYP2E1 was demonstrated. The location of heme and the supporting alpha-helices was established. CYP2E1, CYP2C5 and CYP2C9 active sites are distinguished by pocket size and their amino acid residues composition. Key amino acid residues forming the active site channel and substrate-binding cavity are presented. Active site surface area and volume for CYP2E1, CYP2C5 and CYP2C9 were calculated.
Related Concept Videos
Molecular Models
Protein Organization
The primary structure of a protein is its amino acid sequence.
Gene Families
Occasionally these regions can be adapted to take on new roles within the organism, becoming novel genes...
Protein and Protein Structure
A protein's shape is critical to its function. For example, an enzyme can...

