8E0G

Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72

This is a non-PDB format compatible entry.

Summary for 8E0G

• Entry DOI: 10.2210/pdb8e0g/pdb
• Descriptor: Mu-type opioid receptor, Nanobody 39, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... (8 entities in total)
• Functional Keywords: agonist, active state, revised structure, signaling protein-agonist complex, signaling protein/agonist
• Biological source: Mus musculus (house mouse); More
• Total number of polymer chains: 2
• Total formula weight: 49403.14

Authors

Munro, T.A. (deposition date: 2022-08-09, release date: 2023-10-18, Last modification date: 2024-10-30)

Primary citation

Munro, T.A.
Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21:213-213, 2023

PubMed Abstract: The first crystal structure of the active μ opioid receptor (μOR) exhibited several unexplained features. The ligand BU72 exhibited many extreme deviations from ideal geometry, along with unexplained electron density. I previously showed that inverting the benzylic configuration resolved these problems, establishing revised stereochemistry of BU72 and its analog BU74. However, another problem remains unresolved: additional unexplained electron density contacts both BU72 and a histidine residue in the N-terminus, revealing the presence of an as-yet unidentified atom.

PubMed: 37817141
DOI: 10.1186/s12915-023-01689-w

Experimental method

X-RAY DIFFRACTION (2.1 Å)