2026-01-10_00000217|hard|9HU3

PR1 phage heterodimeric DNA ligase in complex with 21-mer nicked DNA containing phage nick sequence; X-ray diffraction 3.16Å

Protein #1 339 residues (99% resolved)

Raw Sequence ...

GNSGDPMVLAIKNYIRDCQDAYYNGDPIISDEQYDKLIAKYPDAEDQIGTIGDVPHMFRMYSLRKYYPSRGDELPEGFDIETPKLDGCAVEHLYIDGVYVSSTTRGNGKLGKDCTHNLSMLVPKNINGIIRSPVPRVIQIRGEVVVSKPEGLENVRNYASGKVNLKDSTEFAQAVEEGGLMFIAYGVNSNNHEGYTEWYDKDMELLSTFGFFTCLDKTIKIATDDGDILTDGLVRRVNSNSEYEKLGFTDKFPRGAYAIKEDEEGEVTTLREVQWQVGKSGKVTPVGIFDTVIIDDAQISKATLNNAGFIEAMELTIGCQIRVIRSGGVIPKIVEKVED

Canonical Sequence ...

Protein #2 248 residues (100% resolved)

Raw Sequence ...

MKIQIPTHCPICGSVLERVNSQLFCRNKDNCSAQSSKSLESFCKKMKLKGFGEKTLEKLELTSVPELFYIDSSFLEEILGEKIGNKLSAELDRMRTSVEMSTLLASLSIPLVGTVAAEKAVAGATSLADTKLSGKAGESLEVWKHSDLGKEIMALPWNFTKVTQVVNETESLGIAVCVTGSVEGHTRTSITKHLESLGFTVKKSVTKDVKYLICEDESKRSSSSYLKALENGVEIGSLTKLILKYKRK

Canonical Sequence ...

DNA #3 21 bases

Raw Sequence ...

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

Canonical Sequence ...

CGCATGGAGAGCGCAGGGCGG

DNA #4 21 bases

Raw Sequence ...

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

Canonical Sequence ...

CCGCCCTGCGCTCTCCATGCG

Non polymer #5 AMP

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

Non polymer #6 NMN

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1

SMILES: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N

Non polymer #7 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 hetero-1-1-1-1-mer

Biounit #2 hetero-1-1-1-1-mer

Reference