2026-07-04_00000175
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ligand
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9VMU
The crystal structure of the Phthalate Hydrolase EstJ6 in complex with monobutyl phthalate;
X-ray diffraction 2.30Å
Protein #1
304 residues (98% resolved)
Raw Sequence ...
MASPQLQMALDAFKTMGEKMAQAGNDVKALRAVMEEMSGFPSAGETKCTPVNAGGVPAEWISGPGAADDRVILYVHGGGYVMGSIATHRETVARLSKASGARGLALDYRLAPEHPFPAAVDDATAAYRWLLSQNIKPAHIVIAGDSAGGGLTLATLIALRDAKVPLPAAGVCISPWTDMEGAGESMTTRAKADPVVQKQGLLGMAQLYLGGKDPKSPLAAPLHANLAGLPPLLIQVGDAQTLLDDSIRVAEKAKKAGVKVDLEVWPEMPHVWHLFAPFLPEGQQAIDKIGKYVRQITAHHHHHH
Canonical Sequence ...
MASPQLQMALDAFKTMGEKMAQAGNDVKALRAVMEEMSGFPSAGETKCTPVNAGGVPAEWISGPGAADDRVILYVHGGGYVMGSIATHRETVARLSKASGARGLALDYRLAPEHPFPAAVDDATAAYRWLLSQNIKPAHIVIAGDSAGGGLTLATLIALRDAKVPLPAAGVCISPWTDMEGAGESMTTRAKADPVVQKQGLLGMAQLYLGGKDPKSPLAAPLHANLAGLPPLLIQVGDAQTLLDDSIRVAEKAKKAGVKVDLEVWPEMPHVWHLFAPFLPEGQQAIDKIGKYVRQITAHHHHHH
Non polymer #2
A1ESU
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
SMILES: CCCCOC(=O)c1ccccc1C(=O)O
CCCCOC(=O)c1ccccc1C(=O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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