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netLibrary - eBook Summary Structure-based Drug Design by ...

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Figure 3<br />

(a) Ternary complex of MnATP with the inhibitor peptide PKI (5–24).<br />

Glu121 and Val123 of the conserved linker region of the protein kinase catalytic core<br />

form the bidentate hydrogen bond with the 6-amino group and N1 nitrogen of the purine<br />

base. Thr183, non-conserved, forms a hydrogen bond with the N7 position of purine.<br />

2'-OH of ribose interacts with the side chain of Glu127 of helix D and P-3 Arg of the<br />

specific inhibitor while the 3'-OH interacts with Glu170 of the catalytic loop. (b) The<br />

local environment of serine nucleophile at P site (left site) and local environment of<br />

phosphorylated P site serine (right side). The side chain of the catalytic base is at<br />

hydrogen bond distance from-OH of the Ser nucleophile which defines the conserved<br />

substrate binding P site.<br />

http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_221.html (2 of 2) [4/5/2004 5:07:18 PM]

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