(New March 2005)
These tables give statistics for each metal, including
. . numbers of occurrences of different coordination numbers,
. . numbers of occurrences of different numbers of protein donor groups,
. . numbers of occurrences of different numbers of non-protein donor groups,
. . details of chelate loop sizes, and their frequencies, for the different combinations of amino-acid donor groups, and also their variation with number of protein donor groups.
The statistics are for a reresentative set of of the proteins containing each of the metals (see below).
Note the definitions: if histidine residue number n, and cysteine residue number n+3, are both coordinated to the metal, this is described as a donor pair, HC 3, and has seqdif 3. The term span is used for the seqdif between the first and the last residue coordinated to the metal.
Statistics for : (choose metal)
. . . Ca . . . Mg . . . Mn . . . Fe . . . Cu . . . Zn . . . Na . . . K . . . Co . . . Ni . . .
(To get representative sets for each metal, the full lists of protein structures containing each metal were culled using the procedure PISCES by G. Wang and R. L. Dunbrack, Jr. Bioinformatics, submitted (2002), setting sequence identity <0.30, resolution 0-2.3 A, R factor 0-0.25. Note that this is better than using a representative set of proteins.)
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