2026-11-07_00000112|ligand|36KU

Tri-complex of Compound 30, KRAS G12D, and CypA; X-ray diffraction 1.24Å
Protein #1 166 residues (99% resolved)

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Protein #2 170 residues (100% resolved)

SMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

SMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #3 A1DJ6

InChI=1S/C62H91N11O8/c1-6-72-51-18-17-43-30-46(51)48(55(72)47-31-44(34-64-53(47)39(2)79-5)68-26-24-67(25-27-68)42-15-16-42)33-61(3,4)38-81-60(78)49-12-9-21-73(66-49)58(76)50(32-45-35-69(43)28-29-80-45)65-57(75)54(40-10-7-8-11-40)70-22-19-62(36-70)20-23-71(37-62)59(77)52(63)56(74)41-13-14-41/h17-18,30-31,34,39-42,45,49-50,52,54,56,66,74H,6-16,19-29,32-33,35-38,63H2,1-5H3,(H,65,75)/t39-,45-,49-,50-,52+,54-,56-,62-/m0/s1

CCn1c2ccc3cc2c(c1c4cc(cnc4[C@H](C)OC)N5CCN(CC5)C6CC6)CC(COC(=O)[C@@H]7CCCN(N7)C(=O)[C@H](C[C@H]8CN3CCO8)NC(=O)[C@H](C9CCCC9)N1CC[C@@]2(C1)CCN(C2)C(=O)[C@@H]([C@H](C1CC1)O)N)(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]
Download coordinates
Download coordinates
Reference