The CBS domain is composed of a beta-alpha-beta-beta-alpha secondary structure pattern that is folded into a globular tertiary structure that contains a three-stranded antiparallel β-sheet with two α-helices on one side. CBS domains are always found in pairs in protein sequences and each pair of these domains tightly associate in a pseudo dimeric arrangement through their β-sheets forming a so-called CBS-pair or Bateman domain. These CBS domain pairs can associate in a head-to-head or a head-to-tail manner forming a disk-like compact structure. By doing so, they form clefts that constitute the canonical ligand binding regions. In principle, the number of canonical binding sites matches the number of CBS domains within the molecule and are traditionally numbered according to the CBS domain that contains each of the conserved aspartate residues that potentially interact with the ribose of the nucleotides. However, not all of these cavities might necessarily bind nucleotides or be functional. Recently, a non-canonical site for AMP has also been described in protein MJ1225 from M. jannaschii, though its functional role is still unknown. of CBS domains showing secondary structures above. Yellow arrows represent beta strands and red boxes alpha helices.|700px|center
Ligand binding
It has been shown that CBS domains bind to adenosyl groups in molecules such as AMP and ATP, or s-adenosylmethionine, but they may also bind metallic ions such as Mg2+. Upon binding these different ligands the CBS domains regulate the activity of associated enzymatic domains. The molecular mechanisms underlying this regulation are just starting to be elucidated. At the moment, two different type of mechanisms have been proposed. The first one claims that the nucleotide portion of the ligand induces essentially no change in the protein structure, the electrostatic potential at the binding site being the most significant property of adenosine nucleotide binding. This "static" response would be involved in processes in which regulation by energy charge would be advantageous. On the contrary, the second type of mechanism involves dramatic conformational changes in the protein structure upon ligand binding and has been reported for the cytosolic domain of the Mg2+ transporter MgtE from Thermus thermophilus, the unknown function protein MJ0100 from M. jannaschii and the regulatory region of Clostridium perfringens pyrophosphatase.
Associated domains
CBS domains are often found in proteins that contain other domains. These domains are usually enzymatic, membrane transporters or DNA-binding domains. However, proteins that contain only CBS domains are also often found, particularly in prokaryotes. These standalone CBS domain proteins might form complexes upon binding to other proteins such as kinases to which they interact with and regulate.