6plb

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Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWLAdducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL

Structural highlights

6plb is a 1 chain structure with sequence from Gallus gallus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Activity:Lysozyme, with EC number 3.2.1.17
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

Metal complexes can be considered a 'paradigm of promiscuity' when it comes to their reactions with proteins. They often form adducts with a variety of donor atoms in an unselective manner. We have characterized the adducts formed between a series of isostructural N -heterocyclic carbene (NHC) complexes with Ru, Os, Rh, and Ir centers and the model protein hen egg white lysozyme by X-ray crystallography and mass spectrometry. Distinctive behavior for the metal compounds was observed with the more labile Ru and Rh complexes targeting a surface l-histidine moiety through cleavage of p- cymene or NHC co-ligands, respectively. In contrast, the more inert Os and Ir derivatives were detected in an electronegative binding pocket after undergoing ligand exchange of a chlorido ligand for an amino acid side chain. Computational studies supported the binding profiles and hinted at the role of the protein microenvironment for metal complexes eliciting selectivity for specific binding sites on the protein.

Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.,Sullivan MP, Cziferszky M, Tolbatov I, Truong D, Mercadante D, Re N, Gust R, Goldstone DC, Hartinger C Angew Chem Int Ed Engl. 2021 Jul 1. doi: 10.1002/anie.202106906. PMID:34196088[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Sullivan MP, Cziferszky M, Tolbatov I, Truong D, Mercadante D, Re N, Gust R, Goldstone DC, Hartinger C. Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew Chem Int Ed Engl. 2021 Jul 1. doi: 10.1002/anie.202106906. PMID:34196088 doi:http://dx.doi.org/10.1002/anie.202106906

6plb, resolution 1.30Å

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