2026-09-26_00000232|ligand|9SQ1

S-Adenosylmethionine synthetase of Thermococcus kodakarensis in complex with (S,R)-SAM and PPNP; X-ray diffraction 2.11Å
Protein #1 425 residues (95% resolved)

MGSSHHHHHHSSGLVPRGSHMAGKVRNIVVEELVRTPVEMQKVELVERKGIGHPDSIADGIAEAVSRALSREYVKRYGIILHHNTDQVEVVGGRAYPQFGGGEVIKPIYILLSGRAVEMVDREFFPVHEIALKAAKDYLRKAVRHLDLEHHVIIDSRIGQGSVDLVGVFNKAKKNPIPLANDTSFGVGYAPLSETEKIVLETEKYLNSDEFKKKYPAVGEDIKVMGLRKGDEIDLTIAAAIVDSEVDNPDDYMAVKEAIYEAAKGIVESHTERPTNIYVNTADDPKEGIYYITVTGTSAEAGDDGSVGRGNRVNGLITPNRHMSMEAAAGKNPVSHVGKIYNILSMLIANDIAEQVEGVEEVYVRILSQIGKPIDEPLVASVQIIPKKGYSIDVLQKPAYEIADEWLANITKIQKMILEDKVNVF

MGSSHHHHHHSSGLVPRGSHMAGKVRNIVVEELVRTPVEMQKVELVERKGIGHPDSIADGIAEAVSRALSREYVKRYGIILHHNTDQVEVVGGRAYPQFGGGEVIKPIYILLSGRAVEMVDREFFPVHEIALKAAKDYLRKAVRHLDLEHHVIIDSRIGQGSVDLVGVFNKAKKNPIPLANDTSFGVGYAPLSETEKIVLETEKYLNSDEFKKKYPAVGEDIKVMGLRKGDEIDLTIAAAIVDSEVDNPDDYMAVKEAIYEAAKGIVESHTERPTNIYVNTADDPKEGIYYITVTGTSAEAGDDGSVGRGNRVNGLITPNRHMSMEAAAGKNPVSHVGKIYNILSMLIANDIAEQVEGVEEVYVRILSQIGKPIDEPLVASVQIIPKKGYSIDVLQKPAYEIADEWLANITKIQKMILEDKVNVF
Non polymer #2 A1JV3

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8-,10-,11-,14-,27+/m1/s1

C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Non polymer #3 K

InChI=1S/K/q+1

[K+]
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #6 PPK

InChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)

N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O
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Reference