Structure of PDB 1fxh Chain B Binding Site BS02

Receptor Information
>1fxh Chain B (length=557) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPF
AYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAEKPGYYLHNGKWVKML
SREETITVKNGQAETFTVWRTVHGNILQTDQTTQTAYAKSRAWDGKELAS
LLAWTHQMKAKNWQEWTQQAAKQALTINWYYADVNGNIGYVHTGAYPDRQ
SGHDPRLPVPGTGKWDWKGLLPFEMNPKVYNPQSGYIANWANSPQKDYPA
SDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFL
PTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVW
LTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAV
QGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAM
ALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAW
DVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAHKESQ
EVLHVQR
Ligand information
Ligand IDPAC
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)O
CACTVS 3.341OC(=O)Cc1ccccc1
ACDLabs 10.04O=C(O)Cc1ccccc1
FormulaC8 H8 O2
Name2-PHENYLACETIC ACID
ChEMBLCHEMBL1044
DrugBankDB09269
ZINCZINC000000388462
PDB chain1fxh Chain B Residue 1001 [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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PDB1fxh Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		S1 F24 S67 T68 A69
Binding residue
(residue number reindexed from 1)		S1 F24 S67 T68 A69
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S1 Q23 A69 F71 A241
Catalytic site (residue number reindexed from 1) S1 Q23 A69 F71 A241
Enzyme Commision number 3.5.1.11: penicillin amidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1fxh, PDBe:1fxh, PDBj:1fxh
PDBsum1fxh
PubMed11239085
UniProtP06875|PAC_ECOLX Penicillin G acylase (Gene Name=pac)

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