2026-06-27_00000092|ligand|36OK

Tri-complex of RMC-8839, KRAS G13C, and CypA; X-ray diffraction 1.21Å
Protein #1 170 residues (100% resolved)

SMTEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

SMTEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Protein #2 166 residues (100% resolved)

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Non polymer #3 A1DKY

InChI=1S/C54H74F3N9O8/c1-10-44(67)65-32-74-53(35(65)5)19-24-63(25-20-53)51(71)61(8)46(33(2)3)48(68)59-42-29-62-22-12-14-37(28-62)36-17-18-43-39(26-36)40(27-52(6,7)31-73-50(70)41-16-13-23-66(60-41)49(42)69)47(64(43)30-54(55,56)57)38-15-11-21-58-45(38)34(4)72-9/h11,14-15,17-18,21,26,33-35,41-42,46,60H,10,12-13,16,19-20,22-25,27-32H2,1-9H3,(H,59,68)/t34-,35-,41-,42-,46-/m0/s1

CCC(=O)N1COC2([C@@H]1C)CCN(CC2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H]3C[N@]4CCC=C(C4)c5ccc6c(c5)c(c(n6CC(F)(F)F)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
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Reference