Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2021 Feb 12;12:984. doi: 10.1038/s41467-021-21262-9

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

PMC Copyright notice

Fig. 1 — a Overlay of the representative simulation snapshots showing mOR is bound to fentanyl in the D147- (green) and H297- (purple) binding modes. b Zoomed-in view of the D147-binding mode, in which the charged piperidine amine of fentanyl forms a salt bridge with Asp147. c Zoomed-in view of the H297-binding mode, where the piperidine amine donates a proton to Nϵ of HID297. The curved arrow illustrates the change in the orientation of fentanyl in going from D147- to H297-binding mode. mOR residues making significant contacts with fentanyl (fraction greater than 0.5) are shown (see Fig. 4). Those unique to the two binding modes are labeled in red and otherwise in black. d Structure of fentanyl with different substituent groups and the protonated/charged amine labeled. e Histidine protonation states. HID and HIE are neutral while HIP is charged.