1kgj

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Revision as of 17:04, 20 November 2007

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spinqualitylabelsall models 1kgj, resolution 2.30Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388)

Overview

The crystal structure of rat transthyretin (rTTR) complex with the, dibromoflavone EMD21388 was determined to 2.3 A resolution and refined to, R = 0.203 and Rfree = 0.288. Two different orientations of EMD21388, which, differ in the channel penetration by 1.6 A, were found in the A/C binding, site of rTTR. The single ligand position observed in the BID site is, intermediate between the two positions found in the A/C site. The position, of the dibromoflavone in the B/D site is similar to that reported for, dibromoaurone in human TTR. The bromine atoms of EMD21388 form strong, interactions in the P3 and P3' pockets of rTTR. Due to the different, molecular architectures of both ligands, dibromoflavone forms only one, interaction with Lys-15 near the channel entrance, while direct, interactions with the pair of Lys-15 were reported for dibromoaurone. The, C3* methyl group of EMD21388 mediates the bridging interactions between, two TTR subunits in the P2 pockets. The interactions of the O2* hydroxyl, group of dibromoaurone with the Thr-119 side chain in the P3 pockets are, not matched by similar interactions in EMD21388. Both these alternative, interactions can explain the competitive binding of, 3',5'-dibromoflavonoids to transthyretin.

About this Structure

1KGJ is a Single protein structure of sequence from Rattus norvegicus with FL8 as ligand. Full crystallographic information is available from OCA.

Reference

Comparison of binding interactions of dibromoflavonoids with transthyretin., Muziol T, Cody V, Wojtczak A, Acta Biochim Pol. 2001;48(4):885-92. PMID:11995999

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