Structure of PDB 4c01 Chain B Binding Site BS03

Receptor Information
>4c01 Chain B (length=275) Species: 220668 (Lactiplantibacillus plantarum WCFS1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQVEQRTLNTAAHPFQITAYWLDQISDFETAVDYPIMIICPGGGFTYHSG
REEAPIATRMMAAGMHTVVLNYQLIVGDQSVYPWALQQLGATIDWITTQA
SAHHVDCQRIILAGFSAGGHVVATYNGVATQPELRTRYHLDHYQGQHAAI
ILGYPVIDLTAGFPTTSAARNQITTDARLWAAQRLVTPASKPAFVWQTAT
DESVPPINSLKYVQAMLQHQVATAYHLFGSGIHGLALANHVTQKPGKDKY
LNDQAAIWPQLALRWLQEQGLLAGN
Ligand information
Ligand IDQY9
InChIInChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyIPBVNPXQWQGGJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(Oc1ccccc1)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(=O)Oc1ccccc1
FormulaC8 H8 O2
Namephenyl acetate
ChEMBLCHEMBL289559
DrugBank
ZINCZINC000000388064
PDB chain4c01 Chain B Residue 1278 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c01 Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q5 Q16
Binding residue
(residue number reindexed from 1)		Q5 Q16
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.1: carboxylesterase.
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4c01, PDBe:4c01, PDBj:4c01
PDBsum4c01
PubMed24127688
UniProtF9US10

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