2025-11-22_00000169|ligand|9LQF

Crystal structure of SAM lyase in complex with SAH-AMP; X-ray diffraction 1.59Å

Protein #1 125 residues (100% resolved)

Raw Sequence ...

SMGKTLRFEIVSGVNKGYFHTNSQSESLDLVGGIWQKIAKEEFEKSNIYVSAVIKPSKTVYNQEWGCPENGEETVVLTGVANEEFVDDIEKWKDTVIKLAKELKNQMKQSTLTCEFIETELHYFK

Canonical Sequence ...

SMGKTLRFEIVSGVNKGYFHTNSQSESLDLVGGIWQKIAKEEFEKSNIYVSAVIKPSKTVYNQEWGCPENGEETVVLTGVANEEFVDDIEKWKDTVIKLAKELKNQMKQSTLTCEFIETELHYFK

Non polymer #2 A1EL0

InChI=1S/C24H32N11O11PS/c25-9(24(39)40)1-2-48-4-11-17(16(38)23(45-11)35-8-33-13-19(27)29-6-31-21(13)35)46-47(41,42)43-3-10-14(36)15(37)22(44-10)34-7-32-12-18(26)28-5-30-20(12)34/h5-11,14-17,22-23,36-38H,1-4,25H2,(H,39,40)(H,41,42)(H2,26,28,30)(H2,27,29,31)/t9-,10+,11+,14+,15+,16+,17+,22+,23+/m0/s1

InChI=1S/C24H32N11O11PS/c25-9(24(39)40)1-2-48-4-11-17(16(38)23(45-11)35-8-33-13-19(27)29-6-31-21(13)35)46-47(41,42)43-3-10-14(36)15(37)22(44-10)34-7-32-12-18(26)28-5-30-20(12)34/h5-11,14-17,22-23,36-38H,1-4,25H2,(H,39,40)(H,41,42)(H2,26,28,30)(H2,27,29,31)/t9-,10+,11+,14+,15+,16+,17+,22+,23+/m0/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N)CSCC[C@@H](C(=O)O)N)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N)CSCC[C@@H](C(=O)O)N)O)O)N

Biounit #1 homo-trimer

Biounit #2 homo-trimer

Biounit #3 homo-trimer

Biounit #4 homo-trimer

Reference