Structure of PDB 4ewt Chain A Binding Site BS03

Receptor Information
>4ewt Chain A (length=389) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNQQLIETLKSKEGKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVE
VETNVGPRGIKVTIDSGKPGKTLAIRADFDALPITEDTGLSFASQNKGVM
HACGHDAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKTMIE
NGVLDGVDHVLGVHVMSTMKTGKVYYRPGYVQTGRAFFKLKVQGKGGHGS
SPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKGQFNVIK
DVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPAL
YNDPEFTEYVAKTLKEANLDFGVEMCEPQPPSEDFAYYAKERPSAFIYTG
AAVENGEIYPHHHPKFNISEKSLLISAEAVGTVVLDYLK
Ligand information
Ligand IDPE7
InChIInChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2
InChIKeyACMBXVJDKVNCGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCCOCCOCCO)CCOCCS
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCS)O
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCS
FormulaC14 H30 O7 S
Name1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL
ChEMBL
DrugBankDB02404
ZINCZINC000005828797
PDB chain4ewt Chain D Residue 403 [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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PDB4ewt Structure of an amidohydrolase, SACOL0085, from methicillin-resistant Staphylococcus aureus COL
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R226 R276
Binding residue
(residue number reindexed from 1)		R226 R276
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.14: N-acyl-aliphatic-L-amino acid amidohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4ewt, PDBe:4ewt, PDBj:4ewt
PDBsum4ewt
PubMed23385746
UniProtA0A0H2WZV8

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