2024-12-21_00000052|medium|8W98

ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with monoethylhexyl phtahalate and 2-ethylhexanol; X-ray diffraction 1.90Å
Protein #1 310 residues (96% resolved)

HHHHHHMPLDPRVEQFLAQMPPLNREGLSLAEARQQFKQGALLLDQMVPPPPVDTEDGTVVTTHGPVRIRRYIPDRLRFSHPLVFYHGGGFVFGDIDTHHGLVARLCQTVGATVISVDYSLAPEAKFPVPVAECIDVARWAAHEAPGWGLKPSIVVAGDSAGGNLAAVVSQRAKDESLPIAAQLLFYPALDMVHETPSKRDFARGYLLEADAMQWFGEQYLRTPDDVSHPWASPALSPDLTGLPPALVITAEYDPLRDEGEAYAEALRAAGVPTEQIRFDGMIHGFMTMPIFPQMEAAIEAVARFLERID

HHHHHHMPLDPRVEQFLAQMPPLNREGLSLAEARQQFKQGALLLDQMVPPPPVDTEDGTVVTTHGPVRIRRYIPDRLRFSHPLVFYHGGGFVFGDIDTHHGLVARLCQTVGATVISVDYSLAPEAKFPVPVAECIDVARWAAHEAPGWGLKPSIVVAGDSAGGNLAAVVSQRAKDESLPIAAQLLFYPALDMVHETPSKRDFARGYLLEADAMQWFGEQYLRTPDDVSHPWASPALSPDLTGLPPALVITAEYDPLRDEGEAYAEALRAAGVPTEQIRFDGMIHGFMTMPIFPQMEAAIEAVARFLERID
Non polymer #2 2EH

InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

CCCC[C@H](CC)CO
Non polymer #3 ACE

InChI=1S/C2H4O/c1-2-3/h2H,1H3

CC=O
Non polymer #4 QGL

InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1

CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)O
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Reference