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

. 2019 Jul 9;9(18):5332–5346. doi: 10.7150/thno.34681

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

© The author(s)

This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/). See http://ivyspring.com/terms for full terms and conditions.

PMC Copyright notice

Blind docking study of C29 in CXCR1. Blind docking studies of the CXCR1 structure. Left panel: C13 (green), C14 (cyan), C26 (yellow), C28 (orange) and C29 (magenta) best scored poses and C30 (white) second best scored pose are all located in a central buried pocket of the CXCR1 structure. Right panel: detailed view of the predicted interactions between C29 and CXCR1 residues with hydrogen bonds in yellow dashed lines and pi-stacking in green dashed lines (distances C29-H297: 2.8 Å, C29-Y77: 3.1 Å, C29(CO)-N259: 2.9 Å, C29(NH)-N259: 2.9 Å). The CXCR1 residues surrounding the central buried pocket are visualized as a stick representation. The 3 CXCR1 residues R199, R203 and D265, previously identified by Alanine scanning experiments to be involved in the CXCR1/CXCL8 interaction are represented as cyan sticks in both panels.