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. Author manuscript; available in PMC: 2014 Dec 22.
Published in final edited form as: Nature. 2013 Nov 20;503(7477):548–551. doi: 10.1038/nature12796

Extended Data Table 2.

Overview of obtained and previously published co-crystal structures and their respective compound–protein binding interfaces

Compound PDB-code Space group
Unit cell		 Compound-protein interface (Å2) Solvent Accessible Surface Area/ Buried Surface Area in structure (Å2)
graphic file with name nihms646437t11.jpg
4 		4LV6 P1 (33,39,63Å) (77,81,77°) 421 601/531 (chain A)
graphic file with name nihms646437t12.jpg
6 		4LUC P1 (33,39,62Å) (78,82,78°) 432 629/548 (chain A)
graphic file with name nihms646437t13.jpg
7 		4M1O C2 (68,84,86Å) (90,111,90°) 407 625/489 (chain B)
graphic file with name nihms646437t14.jpg
8 		4LYF C2 (68,84,87Å) (90,111,90°) 359 565/430 (chain B)
graphic file with name nihms646437t15.jpg
9 		4LYH C2 (68,84,87Å) (90,111,90°) 408 620/507 (chain B)
graphic file with name nihms646437t16.jpg
9 		4LYJ P212121 (39,43,88Å) (90,90,90°) 412 632/517 (chain A)
graphic file with name nihms646437t17.jpg
11 		4M21 C2 (68,84,87Å) (90,111,90°) 297 574/372 (chain B)
graphic file with name nihms646437t18.jpg
13 		4M1S C2 (68,84,86Å) (90,111,90°) 346 580/442 (chain B)
graphic file with name nihms646437t19.jpg
14 		4M1T C2 (68,83,85Å) (90,111,90°) 355 579/444 (chain B)
graphic file with name nihms646437t20.jpg
15 		4M1Y C2 (68,84,87Å) (90,111,902) 387 599/480 (chain B)
graphic file with name nihms646437t21.jpg
16 		4M22 C2 (71,83,87Å) (90,109,90°) 324 535/399 (chain B)
graphic file with name nihms646437t22.jpg
DCAI
K-Ras(G12D)
Ref. 27 		4DST H3 (79,79,78.6Å) (90,90,120°) 204 403/252
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“13”
K-Ras(G12V), Ref. 28 		4EPY P212121 (39,41,92Å) (90,90,90°) 301 606/370