Structure of PDB 8ftp Chain A Binding Site BS01

Receptor Information
>8ftp Chain A (length=243) Species: 1385529 (Staphylococcus aureus USA300-CA-263) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPKPFFFEEGKRAVLLLHGFTGNSSDVRQLGRFLQKKGYTSYAPQYEGH
AAPPDEILKSSPFVWFKDALDGYDYLVEQGYDEIVVAGLSLGGDFALKLS
LNRDVKGIVTMCAPMGGKTEGAIYEGFLEYARNFKKYEGKDQETIDNEMD
HFKPTETLKELSEALDTIKEQVDEVLDPILVIQAENDNMIDPQSANYIYD
HVDSDDKNIKWYSESGHVITIDKEKEQVFEDIYQFLESLDWSE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8ftp Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ftp FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, apo form
Resolution1.37 Å
Binding residue
(original residue number in PDB)		E173 D176
Binding residue
(residue number reindexed from 1)		E170 D173
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.1: carboxylesterase.
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0052689 carboxylic ester hydrolase activity
GO:0106435 carboxylesterase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8ftp, PDBe:8ftp, PDBj:8ftp
PDBsum8ftp
PubMed37824340
UniProtA0A0H2XJL0

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