2026-08-29_00000107|medium|29MV

Sesterterpene Synthase from Streptomyces subrutilus (Subrutilane Synthase, SrS) in complex with the surrogate geranyl-farnesyl-thiopyrophosphate (GFSPP); X-ray diffraction 2.30Å

Protein #1 357 residues (99% resolved)

Raw Sequence ...

SAPNLLRLPPLYCPIDAAIHPEYDSIERDSRAWMDRYHLYTSDIDRAWVIARHYAEAMARIYPEGLTDRVALTARWLHWIFYVDDVRMETAVNVTKLASAISLTSHLLRVMESPATEPTAEQTGPVAALQSLMASVQAVATPTQLHRFVEAHRKWFHAILWGMAAPTPASLDEFLHLRMLNAGGAASLSWSEITTGEEIPGDEFHSPAMRALQESSFLMMALDNDLLSYNRESLIDGTHINIVMVLARLNDCPPEQALHQAVAMRDRLTTLFLRLREQEFPRLSAPAKAYVADLDYAIRSNLDWGSNSARYTAVTPRTQLPPSNPAPIPLTLTDHPSDPSTEPLPCPSIAWWWQQLR

Canonical Sequence ...

Non polymer #2 A1JI6

InChI=1S/C25H44O6P2S/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-34-33(29,30)31-32(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+

InChI=1S/C25H44O6P2S/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-34-33(29,30)31-32(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+

SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CSP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CSP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #4 PEG

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

SMILES: C(COCCO)O

C(COCCO)O

Biounit #1 monomer

Biounit #2 monomer

Biounit #3 monomer

Biounit #4 monomer

Reference