2025-11-22_00000171|ligand|9LQH

Crystal structure of SAM lyase in complex with sinefungin-AMP; X-ray diffraction 1.47Å

Protein #1 125 residues (100% resolved)

Raw Sequence ...

SMGKTLRFEIVSGVNKGYFHTNSQSESLDLVGGIWQKIAKEEFEKSNIYVSAVIKPSKTVYNQEWGCPENGEETVVLTGVANEEFVDDIEKWKDTVIKLAKELKNQMKQSTLTCEFIETELHYFK

Canonical Sequence ...

SMGKTLRFEIVSGVNKGYFHTNSQSESLDLVGGIWQKIAKEEFEKSNIYVSAVIKPSKTVYNQEWGCPENGEETVVLTGVANEEFVDDIEKWKDTVIKLAKELKNQMKQSTLTCEFIETELHYFK

Non polymer #2 A1EL1

InChI=1S/C25H35N12O11P/c26-9(1-2-10(27)25(41)42)3-11-18(17(40)24(46-11)37-8-35-14-20(29)31-6-33-22(14)37)48-49(43,44)45-4-12-15(38)16(39)23(47-12)36-7-34-13-19(28)30-5-32-21(13)36/h5-12,15-18,23-24,38-40H,1-4,26-27H2,(H,41,42)(H,43,44)(H2,28,30,32)(H2,29,31,33)/t9-,10-,11+,12+,15+,16+,17+,18+,23+,24+/m0/s1

InChI=1S/C25H35N12O11P/c26-9(1-2-10(27)25(41)42)3-11-18(17(40)24(46-11)37-8-35-14-20(29)31-6-33-22(14)37)48-49(43,44)45-4-12-15(38)16(39)23(47-12)36-7-34-13-19(28)30-5-32-21(13)36/h5-12,15-18,23-24,38-40H,1-4,26-27H2,(H,41,42)(H,43,44)(H2,28,30,32)(H2,29,31,33)/t9-,10-,11+,12+,15+,16+,17+,18+,23+,24+/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)C[C@H](CC[C@@H](C(=O)O)N)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)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N

Biounit #1 homo-trimer

Reference