2026-07-04_00000102|ligand|9R83

KOD-H4 DNA polymerase mutant in a ternary complex with HNA:DNA containing six HNA nucleotides and a 2',3'-dideoxycytidine at the 3'-end of the DNA primer complexed to a natural dATP in the active site; X-ray diffraction 2.80Å
DNA #1 12 bases

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

GACCACGGCCAC
Protein #2 774 residues (97% resolved)

MILDTDYITEDGKPVIRIFKKENGEFKIEYDRTFEPYFYALLKDDSAIEEVKKITAERHGTVVTVKRVEKVQKKFLGRPVEVWKLYFTHPQDQPAIRDKIREHPAVIDIYEYDTPFAKRYLIDKGLVPMEGDEELKMLAFAIATLYHEGEEFAEGPILMISYADEEGARVITWKNVDLPYVDVVSTEREMIKRFLRVVKEKDPDVLITYNGDNFDFAYLKKRCEKLGINFALGRDGSEPKIQRMGDRFAVEVKGRIHFDLYPVIRRTINLPTYTLEAVYEAVFGQPKEKVYAEEITTAWETGENLERVARYSMEDAKVTYELGKEFLPMEAQLSRLIGQSLWDVSRSSTGNLVEWFLLRKAYERNELAPNKPDEKELARRRQKYEGGYVKEPERGLWENIVYLDFRSLYPSIIITHNVSPDTLNREGCGEYDVAPQVGHRFCKDLPGFIPSLLGDLLEERQKIKKKMKATIDPIERKLLDYRQRLIKILANSVYGHMGFENARWYCKECAESVTAWGREYLTMTIKEIEEKYGFKVIYSDTDGFFATIPGADAETVKKKAMEFLKYINAKLPGALELEYEGFYKRGFFVTKKKYAVIDEEGKITTRGLEIVRRDWSEIAKETQARVLEALLKDGDVEKAVRIVKEVTEKLSKYEVPPEKLVIHKQITRDLKDYKATGPHVAVAKRLAARGVKIRPGTVISYIVLKGSGRIGDRAIPFDEFDPTKHRYDAEYYIEKQVLPAVERILRAFGYRKEDLRYQKTRQVGLSAWLKPKGT

MILDTDYITEDGKPVIRIFKKENGEFKIEYDRTFEPYFYALLKDDSAIEEVKKITAERHGTVVTVKRVEKVQKKFLGRPVEVWKLYFTHPQDQPAIRDKIREHPAVIDIYEYDTPFAKRYLIDKGLVPMEGDEELKMLAFAIATLYHEGEEFAEGPILMISYADEEGARVITWKNVDLPYVDVVSTEREMIKRFLRVVKEKDPDVLITYNGDNFDFAYLKKRCEKLGINFALGRDGSEPKIQRMGDRFAVEVKGRIHFDLYPVIRRTINLPTYTLEAVYEAVFGQPKEKVYAEEITTAWETGENLERVARYSMEDAKVTYELGKEFLPMEAQLSRLIGQSLWDVSRSSTGNLVEWFLLRKAYERNELAPNKPDEKELARRRQKYEGGYVKEPERGLWENIVYLDFRSLYPSIIITHNVSPDTLNREGCGEYDVAPQVGHRFCKDLPGFIPSLLGDLLEERQKIKKKMKATIDPIERKLLDYRQRLIKILANSVYGHMGFENARWYCKECAESVTAWGREYLTMTIKEIEEKYGFKVIYSDTDGFFATIPGADAETVKKKAMEFLKYINAKLPGALELEYEGFYKRGFFVTKKKYAVIDEEGKITTRGLEIVRRDWSEIAKETQARVLEALLKDGDVEKAVRIVKEVTEKLSKYEVPPEKLVIHKQITRDLKDYKATGPHVAVAKRLAARGVKIRPGTVISYIVLKGSGRIGDRAIPFDEFDPTKHRYDAEYYIEKQVLPAVERILRAFGYRKEDLRYQKTRQVGLSAWLKPKGT
DNA #3 16 bases

(6HA)(6HA)(6HC)(6HT)(6HG)(6HT)(DG)(DG)(DC)(DC)(DG)(DT)(DG)(DG)(DT)(DC)

AACTGTGGCCGTGGTC
Non polymer #4 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #5 DTP

InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
Non polymer #6 EDO

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

C(CO)O
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Reference