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Halogen Bonding I pp 241–276Cite as

Biomolecular Halogen Bonds

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Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 358))

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Abbreviations

Å:

Ångstrom (10−10 m)

A:

Adenosine

Asn:

Asparagine

Asp:

Aspartic acid

Arg:

Arginine

BXB:

Biomolecular halogen bond

Br:

Bromine

BrTyr:

Bromotyrosine

BrU:

5-Bromouridine

C:

Cytidine

C=O:

Carbonyl group

C–X:

Carbon–halogen bond

Cl:

Chlorine

DFT:

Density functional theory

DNA:

Deoxyribonucleic acid

DSC:

Differential scanning calorimetry

e:

Exponential (2.7182…)

E :

Energy

F:

Fluorine

G:

Guanosine

G°:

Standard state Gibbs free energy

Gln:

Glutamine

Glu:

Glutamic acid

h-BXB:

Shared halogen–hydrogen bond

H°:

Standard state enthalpy

H-bond:

Hydrogen bond

His:

Histidine

I:

Iodine

iC:

5-Iodocytidine

IC50:

Concentration for half maximal inhibition

kcal:

Kilocalorie (4.18 kJ)

K D :

Dissociation constant

K i :

Inhibition constant

μM:

Micromolar (10−6 M)

MD:

Molecular dynamics

MM:

Molecular mechanics

mol:

Mole (6.02 × 1023 particles)

N:

Nitrogen

N–H:

Nitrogen–hydrogen bond

NCI:

National Cancer Institute

ND:

Not determined

nM:

Nanomolar (10−9 M)

O:

Oxygen

P :

Probability of interaction

PDB:

Protein Data Bank

Phe:

Phenylalanine

QM:

Quantum mechanics

r DA :

Distance between donor and acceptor

R vdW :

van der Waals radius

∑R vdW :

Sum of van der Waals radii of two interacting atoms

S:

Sulfur

S°:

Standard state entropy

SA:

Surface area

T:

Thymidine

T3:

3,5,3′-Triiodo-l-thyronine (liothyronine)

T4:

3,5,3,5′-Tetraiodo-l-thyronine

TR:

Thyroid hormone receptor

Tyr:

Tyrosine

U:

Uridine

X-bond:

Halogen bond

XU:

5-Halouridine

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Acknowledgements

The studies on halogen bonds from the Ho laboratory have been supported by grants from the Fulbright Association and the National Science Foundation (CH 1152494), and funds from Colorado State University. I am indebted to the current and former undergraduates and graduates students who have contributed to the studies through their creative and intellectual capabilities, particularly my current students (M. Scholfield, C. Vander Zanden, and M. Ford) for proof reading the current manuscript.

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  1. Department of Biochemistry and Molecular Biology, Colorado State University, Fort Collins, CO, 80523-1870, USA

    P. Shing Ho

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  1. P. Shing Ho
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Correspondence to P. Shing Ho .

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  1. Dipartimento di Chimica, Polytechnic University of Milan, Milano, Italy

    Pierangelo Metrangolo

  2. Dipartimento di Chimica, Polytechnic University of Milan, Milano, Italy

    Giuseppe Resnati

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Ho, P.S. (2014). Biomolecular Halogen Bonds. In: Metrangolo, P., Resnati, G. (eds) Halogen Bonding I. Topics in Current Chemistry, vol 358. Springer, Cham. https://doi.org/10.1007/128_2014_551

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