2025-03-01_00000102|medium|8YH1

Crystal structure of Thermus thermophilus UMP kinase complexed with a phosphoryl group acceptor and donor.; X-ray diffraction 2.60Å
Protein #1 233 residues (100% resolved)

MKYKRVLLKLSGEFLTRNGFGIEPEATQALAREIKAAYDTGVQLAIVIGAGNLWRGARQGVGMDRATADYIGMLATIMNALALQDALESLGVPTRVQTALTITQVAEPYIRRRALRHLEKERIVIFGGGTGNPFFSTDTAAALRALEVGAEVVLMAKNKVDGVYSDDPRKNPEAVRFDELTYLEVLNRGLQVMDTTAITLCMEAGLPIVVFDIFKPGALVGIIQGEKVGTLIH

MKYKRVLLKLSGEFLTRNGFGIEPEATQALAREIKAAYDTGVQLAIVIGAGNLWRGARQGVGMDRATADYIGMLATIMNALALQDALESLGVPTRVQTALTITQVAEPYIRRRALRHLEKERIVIFGGGTGNPFFSTDTAAALRALEVGAEVVLMAKNKVDGVYSDDPRKNPEAVRFDELTYLEVLNRGLQVMDTTAITLCMEAGLPIVVFDIFKPGALVGIIQGEKVGTLIH
Non polymer #2 ADP

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

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

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 U5P

InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
Non polymer #6 UDP

InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
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Reference