Structure of PDB 8yqp Chain A Binding Site BS01

Receptor Information
>8yqp Chain A (length=291) Species: 135740 (Paracoccus kondratievae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISDPQVLGFIARTEAAYPPEANGASAADNRRFYDAMCAVFRGPRPPGLV
VGDRRIGGVPCRVYGADSAVSVVYVHGGGFVVGGLDSHDDVCAEIADATG
LQVIAIDYRLAPEHRWPAQIQDVQAVWDALDRPAVIAGDSAGGMLSAALC
LSRRGQRQPLGQVLIYPGLGGDGSAPSYRENAGAPLLRTEDLATYHAALH
GDGPVDPLALPLQVEDLAGVAPAFVVSADVDPLRDDARDYVQRLRAAGVA
AEWRNEPELPHGYLRARRESDRARRSFQAILSAIMRFAVRG
Ligand information
Ligand IDA1D6Y
InChIInChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyYWWHKOHZGJFMIE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 2.0.7CCOC(=O)c1ccccc1C(=O)O
FormulaC10 H10 O4
Name2-ethoxycarbonylbenzoic acid;
monoethyl phthalate
ChEMBL
DrugBank
ZINC
PDB chain8yqp Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8yqp Molecular insights into the catalytic mechanism of a phthalate ester hydrolase.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		Y18 G78 G79 S140 A141 L187 Y195 H261
Binding residue
(residue number reindexed from 1)		Y18 G78 G79 S140 A141 L187 Y195 H261
Annotation score1
External links