2026-08-08_00000275|medium|9WD2

Thymidylate kinase of Helicobacter pylori; X-ray diffraction 2.50Å

Protein #1 194 residues (95% resolved)

Raw Sequence ...

AMYVVLEGVDGAGKSTQVELLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHTESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPAKIILLLIDKEGLKQRLSLKSLDKIENQGIEKLLHIQQKLKTHAYALQEKFGCEVLELDAKESVKNLHEKIAAFIKCAVHH

Canonical Sequence ...

AMYVVLEGVDGAGKSTQVELLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHTESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPAKIILLLIDKEGLKQRLSLKSLDKIENQGIEKLLHIQQKLKTHAYALQEKFGCEVLELDAKESVKNLHEKIAAFIKCAVHH

Non polymer #2 ANP

InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1

InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1

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

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

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #4 TMP

InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1

SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference