2026-09-19_00000247
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ligand
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9XUH
Inactive mutant S168A of dsPETase05 in complex with terephthalic acid;
X-ray diffraction 1.49Å
Protein #1
256 residues (100% resolved)
Raw Sequence ...
NPDTGTGFPGVSSFSADGSFATTSGSAGLSCTVFRPSTLGANGLKHPIIVWGNGTTASPSTYSGILEHWASHGFVVIAANTSNAGTGQDMLNCVDYLTTQNNRSTGTYANKLDLNRIGAAGHAQGGGGTIMAGQDYRIKVTAPFQPYTIGLGHNSSSQSNQNGPMFLMTGSADTIASPTLNALPVYNRANVPVFWGELSGASHFEPVGSAGDFRGPSTAWFRYHLMDDASAEDTFYGSNCDLCTDNDWDVRRKGIN
Canonical Sequence ...
NPDTGTGFPGVSSFSADGSFATTSGSAGLSCTVFRPSTLGANGLKHPIIVWGNGTTASPSTYSGILEHWASHGFVVIAANTSNAGTGQDMLNCVDYLTTQNNRSTGTYANKLDLNRIGAAGHAQGGGGTIMAGQDYRIKVTAPFQPYTIGLGHNSSSQSNQNGPMFLMTGSADTIASPTLNALPVYNRANVPVFWGELSGASHFEPVGSAGDFRGPSTAWFRYHLMDDASAEDTFYGSNCDLCTDNDWDVRRKGIN
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
UB7
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
SMILES: c1cc(ccc1C(=O)O)C(=O)O
c1cc(ccc1C(=O)O)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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