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Table 2 Stability of zinc coordinating ligands throughout the simulations

From: Dynamic changes in the secondary structure of ECE-1 and XCE account for their different substrate specificities

ECE-1 Residues

X-ray Dist. (Ã…)

Avg Dist. (Å) ± St. Dev

XCE Residues

Model Dist. (Ã…)

Avg Dist. (Å) ± St. Dev

H607: NE2

2.24

2.06 ± 0.00

H607: NE2

2.06

2.03 ± 0.04

H611: NE2

2.13

2.03 ± 0.04

H611: NE2

2.05

2.05 ± 0.04

E667: OE1

1.75

1.95 ± 0.03

E667: OE1

1.95

1.95 ± 0.03

PO1

2.07

2.04 ± 0.07

PO1

1.86

2.01 ± 0.09

PO2

2.54

2.22 ± 0.13

PO2

3.69

2.25 ± 0.15

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BMC Bioinformatics

ISSN: 1471-2105

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