5KD1

Sperm whale myoglobin H64A with nitrosoamphetamine

Summary for 5KD1

• Entry DOI: 10.2210/pdb5kd1/pdb
• Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... (6 entities in total)
• Functional Keywords: heme, myoglobin, nitrosoalkane, nitrosoamphetamine, 2-nitroso-1-phenylpropane, n-hydroxyamphetamine, c-nitroso, oxygen transport
• Biological source: Physeter catodon (Sperm whale)
• Total number of polymer chains: 1
• Total formula weight: 18777.30

Authors

Wang, B.,Guan, Y.,Thomas, L.M.,Richter-Addo, G.B. (deposition date: 2016-06-07, release date: 2017-05-10, Last modification date: 2023-09-27)

Primary citation

Wang, B.,Powell, S.M.,Guan, Y.,Xu, N.,Thomas, L.M.,Richter-Addo, G.B.
Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
Nitric Oxide, 67:26-29, 2017

PubMed Abstract: N-hydroxyamphetamine (AmphNHOH) is an oxidative metabolite of amphetamine and methamphetamine. It is known to form inhibitory complexes upon binding to heme proteins. However, its interactions with myoglobin (Mb) and hemoglobin (Hb) have not been reported. We demonstrate that the reactions of AmphNHOH with ferric Mb and Hb generate the respective heme-nitrosoamphetamine derivatives characterized by UV-vis spectroscopy. We have determined the X-ray crystal structure of the H64A Mb-nitrosoamphetamine complex to 1.73 Å resolution. The structure reveals the N-binding of the nitroso-d-amphetamine isomer, with no significant H-bonding interactions between the ligand and the distal pocket amino acid residues.

PubMed: 28450187
DOI: 10.1016/j.niox.2017.04.012

Experimental method

X-RAY DIFFRACTION (1.7 Å)