2026-06-27_00000091|ligand|36OJ

Tri-complex of Compound 2, KRAS G13C, and CypA; X-ray diffraction 1.74Å
Protein #1 170 residues (100% resolved)

SMTEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

SMTEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Protein #2 166 residues (99% resolved)

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Non polymer #3 A1DKX

InChI=1S/C55H74N8O7/c1-10-46(64)61-28-23-55(33-61)21-26-60(27-22-55)53(68)59(8)48(35(3)4)50(65)57-44-30-37-15-12-16-38(29-37)39-19-20-45-41(31-39)42(49(62(45)11-2)40-17-13-24-56-47(40)36(5)69-9)32-54(6,7)34-70-52(67)43-18-14-25-63(58-43)51(44)66/h12-13,15-17,19-20,24,29,31,35-36,43-44,48,58H,10-11,14,18,21-23,25-28,30,32-34H2,1-9H3,(H,57,65)/t36-,43-,44-,48-/m0/s1

CCC(=O)N1CCC2(C1)CCN(CC2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H]3Cc4cccc(c4)-c5ccc6c(c5)c(c(n6CC)c7cccnc7[C@H](C)OC)CC(COC(=O)[C@@H]8CCCN(C3=O)N8)(C)C
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #5 GNP

InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
Non polymer #6 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #7 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Download coordinates
Download coordinates
Reference