2025-02-15_00000129|hard|9DEH

The designed serine hydrolase known as win31; X-ray diffraction 2.21Å

Protein #1 164 residues (96% resolved)

Raw Sequence ...

MSGMTEEELEKGVEDFLVVHGKFVHRLAGIPPNAKFQALDKYITNQIVESDPSKEKEIKKAFGDAAKILRDALARNITTPEEAQAFLRDLGPWAVDLINTITRRYVDVIEKNPEGVAEILGISLEEVRELAEAGRRAIEEGEGASLGILRKILELEAERAKGSG

Canonical Sequence ...

MSGMTEEELEKGVEDFLVVHGKFVHRLAGIPPNAKFQALDKYITNQIVESDPSKEKEIKKAFGDAAKILRDALARNITTPEEAQAFLRDLGPWAVDLINTITRRYVDVIEKNPEGVAEILGISLEEVRELAEAGRRAIEEGEGASLGILRKILELEAERAKGSG

Non polymer #2 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

SMILES: C(COCCOCCOCCO)O

C(COCCOCCOCCO)O

Non polymer #3 TLA

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

SMILES: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O

[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Reference