2026-06-13_00000289|ligand|9Y62

Human DNA polymerase beta crosslinked ternary complex with Sp-dCTP-alpha-S; X-ray diffraction 2.10Å
Protein #1 341 residues (94% resolved)

MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSEHHHHHH

MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSEHHHHHH
DNA #2 5 bases

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

GTCGG
DNA #3 10 bases

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

GCTGATGCGC
DNA #4 16 bases

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

CCGACGGCGCATCAGC
Non polymer #5 A1CU0

InChI=1S/C9H16N3O12P3S/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(22-8)4-21-27(20,28)24-26(18,19)23-25(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,28)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+,27-/m0/s1

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=S)(O)OP(=O)(O)OP(=O)(O)O)O
Non polymer #6 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #7 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #8 QPJ

InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1

C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O
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Reference