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Table 1 Conformations for 1 + Ca

From: Chelation of Ca2+ ions by a peptide from the repeat region of the Plasmodium falciparum circumsporozoite protein

Conformation/coordination number

Ligands

S1/6

D15, V22, D23, N25, two H20 molecules

S2/6

D15, V14, D23, N25, two H20 molecules

S3/6

D15, V14, D23, N25, V22, one H20 molecule

S4/7

D15 (bidentate coordination), V22, D23, N25, two H20 molecules

S5/7

D15, V22, D23 (bidentate coordination), N25, two H20 molecules

S6/7

D15 (bidentate coordination), V22, D23, N25, V14, one H20 molecule

S7/7

D15, V22, D23 (bidentate coordination), N25, V14, one H20 molecule

  1. Conformations tested in MD calculations for the peptide 1 + Ca including six- and seven-coordinate calcium ions.
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Malaria Journal

ISSN: 1475-2875

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