2026-10-17_00000088|ligand|32DY

RAD52 N-terminal domain in complex with compound FORX-12-864; X-ray diffraction 2.30Å

Protein #1 215 residues (88% resolved)

Raw Sequence ...

GSHMSGTEEAILGGRDSHPAAGGGSVLCFGQCQYTAEEYQAIQKALRQRLGPEYISSRMAGGGQKVCYIEGHRVINLANEMFGYNGWAHSITQQNVDFVDLNNGAFYVGVCAFVRVQLKDGSYHEDVGYGVSEGLASKALSLEKARKEAVTDGLKRALRSFGNALGNCILDKDYLRSLNKLPRQLPLEVDLTKAKRQDLEPSVEEARYNSCRPNM

Canonical Sequence ...

Non polymer #2 A1KDB

InChI=1S/C36H33FN4O7S2/c1-4-30(42)39-25-12-11-22(28(37)20-25)19-29-32(36(45)46)50-34(40-29)24-8-6-10-27(18-24)48-16-14-41(3)13-15-47-26-9-5-7-23(17-26)33-38-21(2)31(49-33)35(43)44/h4-12,17-18,20H,1,13-16,19H2,2-3H3,(H,39,42)(H,43,44)(H,45,46)

InChI=1S/C36H33FN4O7S2/c1-4-30(42)39-25-12-11-22(28(37)20-25)19-29-32(36(45)46)50-34(40-29)24-8-6-10-27(18-24)48-16-14-41(3)13-15-47-26-9-5-7-23(17-26)33-38-21(2)31(49-33)35(43)44/h4-12,17-18,20H,1,13-16,19H2,2-3H3,(H,39,42)(H,43,44)(H,45,46)

SMILES: Cc1c(sc(n1)c2cccc(c2)OCCN(C)CCOc3cccc(c3)c4nc(c(s4)C(=O)O)Cc5ccc(cc5F)NC(=O)C=C)C(=O)O

Cc1c(sc(n1)c2cccc(c2)OCCN(C)CCOc3cccc(c3)c4nc(c(s4)C(=O)O)Cc5ccc(cc5F)NC(=O)C=C)C(=O)O

Non polymer #3 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Biounit #1 homo-11-mer

Biounit #2 homo-11-mer

Reference