2025-10-25_00000036|medium|9DSQ

Thermotoga maritima threonylcarbamoyl adenylate synthase (TsaC2) in complex with products TC-AMP and pyrophosphate; X-ray diffraction 1.99Å

Protein #1 340 residues (95% resolved)

Raw Sequence ...

GSHMASTRVLKVDPLFPDEKVLKEAAELLRNGEVIIFPTETVYGIGADAYNEEACKKIFKLKERPADNPLIVHIHSFKQLEEIAEGYEPHLDFLKKFWPGPLTVIFRKKSEKIPPVVTADLPTVAVRMPAHPVALKLIELFGHPIAAPSANISGRPSATNVKHVIEDFMGKVKLIIDAGDTPFGLESTIVDLTKEKPVLLRPGPVEVERLKELFPELVVPDFVRKGNFKGRPLAPGMKYRHYAPLKPLILVEDLTKMEEVLKKYPDHVVICVEERKELYDDRIVVGSLKNPYSIAQNIFSALREAEKMGKEYIIVEGFEERGILFAVMNRLRKAATEIVR

Canonical Sequence ...

Non polymer #2 ACT

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

SMILES: CC(=O)[O-]

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

SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]

[O-]P(=O)([O-])OP(=O)([O-])[O-]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #5 PEG

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

SMILES: C(COCCO)O

C(COCCO)O

Non polymer #6 TXA

InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1

InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1

SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O

C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O

Biounit #1 monomer

Biounit #2 monomer

Reference