2025-12-06_00000049|ligand|9D3H

Thermotoga maritima threonylcarbamoyl adenylate synthase (TsaC2) in complex with N-carboxy-L-threonine, magnesium and pyrophosphate.; X-ray diffraction 2.28Å
Protein #1 340 residues (99% resolved)

GSHMASTRVLKVDPLFPDEKVLKEAAELLRNGEVIIFPTETVYGIGADAYNEEACKKIFKLKERPADNPLIVHIHSFKQLEEIAEGYEPHLDFLKKFWPGPLTVIFRKKSEKIPPVVTADLPTVAVRMPAHPVALKLIELFGHPIAAPSANISGRPSATNVKHVIEDFMGKVKLIIDAGDTPFGLESTIVDLTKEKPVLLRPGPVEVERLKELFPELVVPDFVRKGNFKGRPLAPGMKYRHYAPLKPLILVEDLTKMEEVLKKYPDHVVICVEERKELYDDRIVVGSLKNPYSIAQNIFSALREAEKMGKEYIIVEGFEERGILFAVMNRLRKAATEIVR

GSHMASTRVLKVDPLFPDEKVLKEAAELLRNGEVIIFPTETVYGIGADAYNEEACKKIFKLKERPADNPLIVHIHSFKQLEEIAEGYEPHLDFLKKFWPGPLTVIFRKKSEKIPPVVTADLPTVAVRMPAHPVALKLIELFGHPIAAPSANISGRPSATNVKHVIEDFMGKVKLIIDAGDTPFGLESTIVDLTKEKPVLLRPGPVEVERLKELFPELVVPDFVRKGNFKGRPLAPGMKYRHYAPLKPLILVEDLTKMEEVLKKYPDHVVICVEERKELYDDRIVVGSLKNPYSIAQNIFSALREAEKMGKEYIIVEGFEERGILFAVMNRLRKAATEIVR
Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #3 DPO

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4

[O-]P(=O)([O-])OP(=O)([O-])[O-]
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 P6G

InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2

C(COCCOCCOCCOCCOCCO)O
Non polymer #6 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #7 U6A

InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1

C[C@H]([C@@H](C(=O)O)NC(=O)O)O
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Reference