Buried chloride stereochemistry in the Protein Data Bank.

ABSTRACT:

Background

Despite the chloride anion is involved in fundamental biological processes, its interactions with proteins are little known. In particular, we lack a systematic survey of its coordination spheres.

Results

The analysis of a non-redundant set (pairwise sequence identity < 30%) of 1739 high resolution (<2 Å) crystal structures that contain at least one chloride anion shows that the first coordination spheres of the chlorides are essentially constituted by hydrogen bond donors. Amongst the side-chains positively charged, arginine interacts with chlorides much more frequently than lysine. Although the most common coordination number is 4, the coordination stereochemistry is closer to the expected geometry when the coordination number is 5, suggesting that this is the c

SUBMITTER: Carugo O 

PROVIDER: S-EPMC4582432 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature