2025-12-13_00000237|ligand|9SMO

Crystal Structure of human exonuclease 1 (Exo1) with DNA and compound ART5537; X-ray diffraction 2.20Å
Protein #1 358 residues (97% resolved)

MGIQGLLQFIKEASEPIHVRKYKGQVVAVDTYCWLHKGAIACAEKLAKGEPTDRYVGFCMKFVNMLLSHGIKPILVFDGCTLPSKKEVERSRRERRQANLLKGKQLLREGKVSEARECFTRSINITHAMAHKVIKAARSQGVDCLVAPYEADAQLAYLNKAGIVQAIITEDSDLLAFGCKKVILKMDQFGNGLEIDQARLGMCRQLGDVFTEEKFRYMCILSGCDYLSSLRGIGLAKACKVLRLANNPDIVKVIKKIGHYLKMNITVPEDYINGFIRANNTFLYQLVFDPIKRKLIPLNAYEDDVDPETLSYAGQYVDDSIALQIALGNKDINTFEQIDDYNPDTAMPAHSRENLYFQ

MGIQGLLQFIKEASEPIHVRKYKGQVVAVDTYCWLHKGAIACAEKLAKGEPTDRYVGFCMKFVNMLLSHGIKPILVFDGCTLPSKKEVERSRRERRQANLLKGKQLLREGKVSEARECFTRSINITHAMAHKVIKAARSQGVDCLVAPYEADAQLAYLNKAGIVQAIITEDSDLLAFGCKKVILKMDQFGNGLEIDQARLGMCRQLGDVFTEEKFRYMCILSGCDYLSSLRGIGLAKACKVLRLANNPDIVKVIKKIGHYLKMNITVPEDYINGFIRANNTFLYQLVFDPIKRKLIPLNAYEDDVDPETLSYAGQYVDDSIALQIALGNKDINTFEQIDDYNPDTAMPAHSRENLYFQ
DNA #2 13 bases

(DC)(GS)(DC)(DT)(DA)(DG)(DT)(DC)(DG)(DT)(DC)(DA)(PST)

CGCTAGTCGTCAT
DNA #3 10 bases

(DA)(SC)(DG)(DA)(DC)(DT)(DA)(DG)(DC)(GS)

ACGACTAGCG
Non polymer #4 A1JO0

InChI=1S/C23H18ClN5O3/c1-14(15-5-3-2-4-6-15)27-13-29(28-10-8-19(30)21(31)20(28)23(27)32)22-17-11-25-9-7-16(17)18(24)12-26-22/h2-12,14,31H,13H2,1H3/t14-/m0/s1

C[C@@H](c1ccccc1)N2CN(N3C=CC(=O)C(=C3C2=O)O)c4c5cnccc5c(cn4)Cl
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 NA

InChI=1S/Na/q+1

[Na+]
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Reference