2026-01-10_00000380|ligand|9Q57

XZ440 integrase inhibitor bound to Wild-type HIV-1 intasome; Electron microscopy 2.28Å
Protein #1 363 residues (67% resolved)

MATVKFKYKGEEKEVDISKIKKVWRVGKMISFTYDEGGGKTGRGAVSEKDAPKELLQMLEKQKKGGGGGGGGGGGFLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED

MATVKFKYKGEEKEVDISKIKKVWRVGKMISFTYDEGGGKTGRGAVSEKDAPKELLQMLEKQKKGGGGGGGGGGGFLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
DNA #2 19 bases

(DA)(DC)(DT)(DG)(DC)(DT)(DA)(DG)(DA)(DG)(DA)(DT)(DT)(DT)(DT)(DC)(DC)(DC)(DG)

ACTGCTAGAGATTTTCCCG
DNA #3 17 bases

(DC)(DG)(DG)(DG)(DA)(DA)(DA)(DA)(DT)(DC)(DT)(DC)(DT)(DA)(DG)(DC)(DA)

CGGGAAAATCTCTAGCA
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 R7K

InChI=1S/C17H13F2N3O5/c18-10-2-1-8(11(19)5-10)6-21-16(25)13-14(24)12-9(7-23)3-4-20-15(12)22(27)17(13)26/h1-5,23-24,27H,6-7H2,(H,21,25)

c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference