MESPEUS: a database of metal coordination groups in proteins.

ABSTRACT: MESPEUS is a freely accessible database which uses carefully selected metal coordination groups found in metalloprotein structures taken from the Protein Data Bank. The database contains geometrical information of metal sites within proteins, including 40 metal types. In order to completely determine the metal coordination, the symmetry-related units of a given protein structure are taken into account and are generated using the appropriate space group symmetry operations. This permits a more complete description of the metal coordination geometry by including all coordinating atoms. The user-friendly web interface allows users to directly search for a metal site of interest using several useful options, including searching for metal elements, metal-donor distances, coordination number, do

SUBMITTER: Lin GY 

PROVIDER: S-EPMC10767821 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature