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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Bacterial cell walls are typically rigid structures composed mainly of peptidoglycan, a mesh-like polymer that provides mechanical strength and maintains cell shape. The synthesis of peptidoglycan is a crucial process in bacterial growth and serves as a primary target for many antibiotics.Mechanism of Action of Beta-Lactam AntibioticsBeta-lactam antibiotics, such as penicillin, inhibit peptidoglycan synthesis in actively growing cells. These antibiotics share a characteristic four-membered...
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During the electron transport chain, electrons from NADH and FADH2 are first transferred to complexes I and II, respectively. These two complexes then transfer the electrons to ubiquinol, which carries them further to complex III. Complex III passes the electrons across the intermembrane space to Cyt c, which carries them further to complex IV. Complex IV donates electrons to oxygen and reduces it to water. As electrons pass through complexes I, III, and IV, the energy released aids the pumping...
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A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
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Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.

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Nanomechanics of Drug-target Interactions and Antibacterial Resistance Detection
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Structural features of the Cu(2+)-vancomycin complex.

Marzena Kucharczyk1, Magdalena Brzezowska, Anna Maciag

  • 1Faculty of Chemistry, University of Wrocław, 14 F. Joliot-Curie Street, 50-383 Wrocław, Poland.

Journal of Inorganic Biochemistry
|February 8, 2008
PubMed
Summary

This study details the structure of vancomycin complexed with copper (Cu2+) ions, revealing unique binding sites and conformational variations. The research highlights the intricate coordination chemistry and molecular arrangements in this metallodrug complex.

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

Area of Science:

  • Medicinal Chemistry
  • Structural Biology
  • Coordination Chemistry

Background:

  • Vancomycin is a critical antibiotic for treating Gram-positive bacterial infections.
  • Metal ions, such as copper (Cu2+), are explored for their potential to modify antibiotic properties.
  • Understanding the structural basis of metal-vancomycin interactions is key to developing novel therapeutic strategies.

Purpose of the Study:

  • To elucidate the three-dimensional structure of vancomycin coordinated to Cu(2+) ions.
  • To analyze the coordination chemistry and binding modes of Cu(2+) within the vancomycin structure.
  • To investigate the conformational diversity and structural implications of metal binding on vancomycin.

Main Methods:

  • X-ray crystallography was employed to determine the precise atomic arrangement of the vancomycin-Cu(2+) complex.
  • Structural analysis focused on identifying the metal binding site and coordination geometry.
  • Conformational analysis was performed to characterize the different molecular shapes observed.

Main Results:

  • The asymmetric unit cell contains two distinct vancomycin-Cu(2+) complex molecules, with one exhibiting partial disorder.
  • The Cu(2+) binding site involves imino nitrogen, two amide nitrogens, and a carboxyl oxygen atom.
  • Two main types of conformation were identified, with one showing disorder in the leucinyl side chain, leading to further conformational variations.
  • Vancomycin-Cu(2+) complex molecules form heterodimers stabilized by antiparallel hydrogen bonding.

Conclusions:

  • The coordination of Cu(2+) to vancomycin results in complex structural arrangements and diverse conformations.
  • The binding site and coordination geometry are specific, despite using an identical set of donor atoms.
  • These findings provide structural insights into metallodrug complexes with potential therapeutic applications.