Structure of PDB 3nfz Chain A Binding Site BS02

Receptor Information
>3nfz Chain A (length=305) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SREPLLRVAVTGGTHGNEMCGVYLARYWLQNPGELQRPSFSAMPVLANPA
ATAACCRYLDRDLNRSCTLTFLGSTATPDDPYEVKRARELNQLLGPKGTG
QAFDFTLDLHNTTANTGVCLISESNISFNLHLCHYLQRQNPGMPCRLFLY
EPAGTETFSVESISKNGICLAMGPQPQGVLRADLFSRMRALVASILDFIE
LFNQGMDLPAFEMDIYRNLGSVDFPRTADGDLAGTVHPQLQDHDFEPLRP
GEPIFKLFSGEDVLYEGDSIVYPVFINEAAYYEKHVAFLKSEKIRVTVPA
LLRLT
Ligand information
Ligand ID3NF
InChIInChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
InChIKeyCAHKINHBCWCHCF-JTQLQIEISA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NC(=O)C)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0CC(=O)NC(Cc1ccc(cc1)O)C(=O)O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O
CACTVS 3.370CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.370CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
FormulaC11 H13 N O4
NameN-acetyl-L-tyrosine
ChEMBLCHEMBL65543
DrugBankDB11102
ZINCZINC000000156395
PDB chain3nfz Chain A Residue 322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nfz Structures of aminoacylase 3 in complex with acetylated substrates.
Resolution2.147 Å
Binding residue
(original residue number in PDB)		H21 R63 N70 R71 I127 E129 E284 Y287
Binding residue
(residue number reindexed from 1)		H15 R57 N64 R65 I121 E123 E278 Y281
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.114: N-acyl-aromatic-L-amino acid amidohydrolase.
Gene Ontology
Molecular Function
GO:0004046 aminoacylase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3nfz, PDBe:3nfz, PDBj:3nfz
PDBsum3nfz
PubMed20921362
UniProtQ91XE4|ACY3_MOUSE N-acyl-aromatic-L-amino acid amidohydrolase (carboxylate-forming) (Gene Name=Acy3)

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