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. 2015 Dec 30;113(2):E137–E145. doi: 10.1073/pnas.1517288113

Table S1.

Properties of receptor grids used in docking simulations

PDB ID code Volume (Å3) x (Å) y (Å) z (Å) Outer contour (Å3) Constraints
3J5P 9,744 18.67 29.00 18.00 1,900 —
3J5R 9,639 17.00 21.00 27.00 2,228 Tyr511 contact
Thr550 donor
3J5R 9,639 17.00 21.00 27.00 2,228 Tyr511 contact
3J5R 9,639 17.00 21.00 27.00 2,228 Thr550 donor
3J5Q 25,179 25.67 27.00 36.33 3,164 —
3J5Q 25,179 25.67 27.00 36.33 3,164 Tyr511 contact
Thr550 donor
3J5Q 25,179 25.67 27.00 36.33 3,164 Tyr511 contact
3J5Q 25,179 25.67 27.00 36.33 3,164 Thr550 donor
3J5R 9,639 17.00 21.00 27.00 2,228 —