Protein–ligand Complex
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Protein–ligand Complex
A protein–ligand complex is a complex of a protein bound with a ligand that is formed following molecular recognition between proteins that interact with each other or with various other molecules. Formation of a protein-ligand complex is based on molecular recognition between biological macromolecules and ligands, where ligand means any molecule that binds the protein with high affinity and specificity. Molecular recognition is not a process by itself since it is part of a functionally important mechanism involving the essential elements of life like in self-replication, metabolism, and information processing. For example DNA-replication depends on recognition and binding of DNA double helix by helicase, DNA single strand by DNA-polymerase and DNA segments by ligase. Molecular recognition depends on affinity and specificity. Specificity means that proteins distinguish the highly specific binding partner from less specific partners and affinity allows the specific partner with ...
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Hydrogen Bond
In chemistry, a hydrogen bond (or H-bond) is a primarily electrostatic force of attraction between a hydrogen (H) atom which is covalently bound to a more electronegative "donor" atom or group (Dn), and another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Such an interacting system is generally denoted , where the solid line denotes a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. The most frequent donor and acceptor atoms are the second-row elements nitrogen (N), oxygen (O), and fluorine (F). Hydrogen bonds can be intermolecular (occurring between separate molecules) or intramolecular (occurring among parts of the same molecule). The energy of a hydrogen bond depends on the geometry, the environment, and the nature of the specific donor and acceptor atoms and can vary between 1 and 40 kcal/mol. This makes them somewhat stronger than a van der Waals interaction, and weaker than fully covalent ...
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Temperature
Temperature is a physical quantity that expresses quantitatively the perceptions of hotness and coldness. Temperature is measured with a thermometer. Thermometers are calibrated in various temperature scales that historically have relied on various reference points and thermometric substances for definition. The most common scales are the Celsius scale with the unit symbol °C (formerly called ''centigrade''), the Fahrenheit scale (°F), and the Kelvin scale (K), the latter being used predominantly for scientific purposes. The kelvin is one of the seven base units in the International System of Units (SI). Absolute zero, i.e., zero kelvin or −273.15 °C, is the lowest point in the thermodynamic temperature scale. Experimentally, it can be approached very closely but not actually reached, as recognized in the third law of thermodynamics. It would be impossible to extract energy as heat from a body at that temperature. Temperature is important in all fields of natur ...
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Molar Concentration
Molar concentration (also called molarity, amount concentration or substance concentration) is a measure of the concentration of a chemical species, in particular of a solute in a solution, in terms of amount of substance per unit volume of solution. In chemistry, the most commonly used unit for molarity is the number of moles per liter, having the unit symbol mol/L or mol/ dm3 in SI unit. A solution with a concentration of 1 mol/L is said to be 1 molar, commonly designated as 1 M. Definition Molar concentration or molarity is most commonly expressed in units of moles of solute per litre of solution. For use in broader applications, it is defined as amount of substance of solute per unit volume of solution, or per unit volume available to the species, represented by lowercase c: :c = \frac = \frac = \frac. Here, n is the amount of the solute in moles, N is the number of constituent particles present in volume V (in litres) of the solution, and N_\text is the Av ...
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Binding Constant
The binding constant, or affinity constant/association constant, is a special case of the equilibrium constant ''K'', and is the inverse of the dissociation constant. It is associated with the binding and unbinding reaction of receptor (R) and ligand (L) molecules, which is formalized as: :R + L RL The reaction is characterized by the on-rate constant ''k''on and the off-rate constant ''k''off, which have units of M−1 s−1 and s−1, respectively. In equilibrium, the forward binding transition R + L → RL should be balanced by the backward unbinding transition RL → R + L. That is, :k_\,[]\,[] = k_\,[], where [R], [L] and [RL] represent the concentration of unbound free receptors, the concentration of unbound free ligand and the concentration of receptor-ligand complexes. The binding constant ''K''a is defined by :K_ = = . An often considered quantity is the dissociation constant ''K''d ≡ , which has the unit of concentration, despite the fact that str ...
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Dissociation Constant
In chemistry, biochemistry, and pharmacology, a dissociation constant (K_D) is a specific type of equilibrium constant that measures the propensity of a larger object to separate (dissociate) reversibly into smaller components, as when a complex falls apart into its component molecules, or when a salt splits up into its component ions. The dissociation constant is the inverse of the association constant. In the special case of salts, the dissociation constant can also be called an ionization constant. For a general reaction: : A_\mathit B_\mathit \mathit A + \mathit B in which a complex \ce_x \ce_y breaks down into ''x'' A subunits and ''y'' B subunits, the dissociation constant is defined as : K_D = \frac where and ''x'' B''y''are the equilibrium concentrations of A, B, and the complex A''x'' B''y'', respectively. One reason for the popularity of the dissociation constant in biochemistry and pharmacology is that in the frequently encount ...
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Teleonomy
Teleonomy is the quality of apparent purposefulness and of goal-directedness of structures and functions in living organisms brought about by natural processes like natural selection. The term derives from the Greek "τελεονομία", compound of two Greek words, τέλος, from τελε-, ("end", "goal", "purpose") and νόμος ''nomos'' ("law"). Teleonomy is sometimes contrasted with teleology, where the latter is understood as a purposeful goal-directedness brought about through human or divine intention. Teleonomy is thought to derive from evolutionary history, adaptation for reproductive success, and/or the operation of a program. Teleonomy is related to programmatic or computational aspects of purpose. Relationship with teleology Colin Pittendrigh, who coined the term in 1958, applied it to biological phenomena that appear to be end-directed, hoping to limit the much older term teleology to actions planned by an agent who can internally model alternative futures w ...
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Jacques Monod
Jacques Lucien Monod (February 9, 1910 – May 31, 1976) was a French biochemist who won the Nobel Prize in Physiology or Medicine in 1965, sharing it with François Jacob and André Lwoff "for their discoveries concerning genetic control of enzyme and virus synthesis".'' Chance and Necessity: An Essay on the Natural Philosophy of Modern Biology'' by Jacques Monod, New York, Alfred A. Knopf, 1971, Monod and Jacob became famous for their work on the '' E. coli'' ''lac'' operon, which encodes proteins necessary for the transport and breakdown of the sugar lactose (lac). From their own work and the work of others, they came up with a model for how the levels of some proteins in a cell are controlled. In their model, the manufacture of proteins, such as the ones encoded within the ''lac'' (lactose) operon, is prevented when a repressor, encoded by a regulatory gene, binds to its operator, a specific site in the DNA sequence that is close to the genes encoding the proteins. (It is ...
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Maxwell's Demon
Maxwell's demon is a thought experiment that would hypothetically violate the second law of thermodynamics. It was proposed by the physicist James Clerk Maxwell in 1867. In his first letter Maxwell called the demon a "finite being", while the ''Daemon'' name was first used by Lord Kelvin. In the thought experiment, a demon controls a small massless door between two chambers of gas. As individual gas molecules (or atoms) approach the door, the demon quickly opens and closes the door to allow only fast-moving molecules to pass through in one direction, and only slow-moving molecules to pass through in the other. Because the kinetic temperature of a gas depends on the velocities of its constituent molecules, the demon's actions cause one chamber to warm up and the other to cool down. This would decrease the total entropy of the two gases, without applying any work, thereby violating the second law of thermodynamics. The concept of Maxwell's demon has provoked substantial debate i ...
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Molecular Demon
A Molecular demon or biological molecular machine is a biological macromolecule that resembles and seems to have the same properties as Maxwell's demon. These macromolecules gather information in order to recognize their substrate or ligand within a myriad of other molecules floating in the intracellular or extracellular plasm. This molecular recognition represents an information gain which is equivalent to an energy gain or decrease in entropy. When the demon is reset i.e. when the ligand is released, the information is erased, energy is dissipated and entropy increases obeying the second law of thermodynamics. The difference between biological molecular demons and the thought experiment of Maxwell's demon is the latter's apparent violation of the second law. Cycle The molecular demon switches mainly between two conformations. The first, or basic state, upon recognizing and binding the ligand or substrate following an induced fit, undergoes a change in conformation wh ...
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Stereospecificity
In chemistry, stereospecificity is the property of a reaction mechanism that leads to different stereoisomeric reaction products from different stereoisomeric reactants, or which operates on only one (or a subset) of the stereoisomers."Overlap Control of Carbanionoid Reactions. I. Stereoselectivity in Alkaline Epoxidation," Zimmerman, H. E.; Singer, L.; Thyagarajan, B. S. J. Am. Chem. Soc., 1959, 81, 108-116.Eliel, E., "Stereochemistry of Carbon Compound", McGraw-Hill, 1962 pp 434-436 In contrast, stereoselectivity is the property of a reactant mixture where a non-stereospecific mechanism allows for the formation of multiple products, but where one (or a subset) of the products is favored by factors, such as steric access, that are independent of the mechanism. A stereospecific mechanism ''specifies'' the stereochemical outcome of a given reactant, whereas a stereoselective reaction ''selects'' products from those made available by the same, non-specific mechanism acting on a g ...
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Electrostatics
Electrostatics is a branch of physics that studies electric charges at rest (static electricity). Since classical times, it has been known that some materials, such as amber, attract lightweight particles after rubbing. The Greek word for amber, (), was thus the source of the word 'electricity'. Electrostatic phenomena arise from the forces that electric charges exert on each other. Such forces are described by Coulomb's law. Even though electrostatically induced forces seem to be rather weak, some electrostatic forces are relatively large. The force between an electron and a proton, which together make up a hydrogen atom, is about 36 orders of magnitude stronger than the gravitational force acting between them. There are many examples of electrostatic phenomena, from those as simple as the attraction of plastic wrap to one's hand after it is removed from a package, to the apparently spontaneous explosion of grain silos, the damage of electronic components during manufacturin ...
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