Structure of PDB 4bzw Chain A Binding Site BS01

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 1276 [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)		G43 G44 S116 A117 H233
Binding residue
(residue number reindexed from 1)		G43 G44 S116 A117 H233
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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