THE ARCHITECTURE OF METAL COORDINATION GROUPS IN PROTEINS

Tables associated with paper being submitted to Acta Cryst. D (August 2003, revised Dec 2003)

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Table 1 D Lists of composition, conformation, etc. of all coordination groups in 30% cull set of metalloproteins. )

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. ( Deposited Tables 2D, 4D and Figure 5D, will be deposited with paper, and are not yet available here (Dec 03), but the web Tables 2W and below are available.)

. Table 2 D Statistics about compositioon, chelate loop sizes, common chelate loops, for all metals Ca.. K

Table 4 D Commonly occurring chelate loops with Ca or Zn: numbers found, conformation(s), standard deviations of fi,psi angles in the set, similarity of folds and of local conformations, and name of example of each.

Fig 5 D Details of close approaches of metal atoms, for Zn...Zn up to 6A, and for Ca...Ca up to 7A.

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Table 2 W Statistics for all chelate loops in 30% cull set of metalloproteins, of different donor groups with different seqdif values; also full statistics for coordination numbers, number of protein donors, no of non protein donors, etc.

. . . statistics . . . . . . . Ca . . . . Mg . . . . Mn . . . . Fe* . . . . Cu . . . . Zn . . . . Na . . . . K . . . .

. . . . . . * Fe coordintaion groups which do not involve haem groups or Fe/S clusters.

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Table 3 W Details of sequences, conformations, etc in individual Ca and Zn coordination groups which occur more than once in 30% cull set of metalloproteins

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Table 4 W Details of sequence, conformation, etc. in individual Ca and Zn chelate loops which occur frequently within the 30% cull set of metalloproteins.

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Table 5 W Proteins with more than one metal per protein chain

Table 5 W (continued) Metal coordination groups where one metal ion is coordinated to more than one protein chain

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