Structure of PDB 4bzw Chain A Binding Site BS04

Receptor Information
>4bzw Chain A (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 IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4bzw Chain A Residue 1280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bzw Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
Resolution2.148 Å
Binding residue
(original residue number in PDB)		Q183 R184 K211
Binding residue
(residue number reindexed from 1)		Q183 R184 K211
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:4bzw, PDBe:4bzw, PDBj:4bzw
PDBsum4bzw
PubMed24127688
UniProtF9US10

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