2025-12-13_00000236|ligand|9SEB

Crystal Structure of human exonuclease 1 (Exo1) with DNA and compound 20; X-ray diffraction 1.90Å
DNA #1 13 bases

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

CGCTAGTCGTCAT
DNA #2 10 bases

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

ACGACTAGCG
Protein #3 358 residues (97% resolved)

MGIQGLLQFIKEASEPIHVRKYKGQVVAVDTYCWLHKGAIACAEKLAKGEPTDRYVGFCMKFVNMLLSHGIKPILVFDGCTLPSKKEVERSRRERRQANLLKGKQLLREGKVSEARECFTRSINITHAMAHKVIKAARSQGVDCLVAPYEADAQLAYLNKAGIVQAIITEDSDLLAFGCKKVILKMDQFGNGLEIDQARLGMCRQLGDVFTEEKFRYMCILSGCDYLSSLRGIGLAKACKVLRLANNPDIVKVIKKIGHYLKMNITVPEDYINGFIRANNTFLYQLVFDPIKRKLIPLNAYEDDVDPETLSYAGQYVDDSIALQIALGNKDINTFEQIDDYNPDTAMPAHSRENLYFQ

MGIQGLLQFIKEASEPIHVRKYKGQVVAVDTYCWLHKGAIACAEKLAKGEPTDRYVGFCMKFVNMLLSHGIKPILVFDGCTLPSKKEVERSRRERRQANLLKGKQLLREGKVSEARECFTRSINITHAMAHKVIKAARSQGVDCLVAPYEADAQLAYLNKAGIVQAIITEDSDLLAFGCKKVILKMDQFGNGLEIDQARLGMCRQLGDVFTEEKFRYMCILSGCDYLSSLRGIGLAKACKVLRLANNPDIVKVIKKIGHYLKMNITVPEDYINGFIRANNTFLYQLVFDPIKRKLIPLNAYEDDVDPETLSYAGQYVDDSIALQIALGNKDINTFEQIDDYNPDTAMPAHSRENLYFQ
Non polymer #4 A1JNC

InChI=1S/C21H19ClN4O3/c1-13-10-16(22)11-23-20(13)26-12-24(14(2)15-6-4-3-5-7-15)21(29)18-19(28)17(27)8-9-25(18)26/h3-11,14,28H,12H2,1-2H3/t14-/m0/s1

Cc1cc(cnc1N2CN(C(=O)C3=C(C(=O)C=CN32)O)[C@@H](C)c4ccccc4)Cl
Non polymer #5 FMT

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

C(=O)O
Non polymer #6 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #7 NA

InChI=1S/Na/q+1

[Na+]
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Reference