Structure of PDB 8tav Chain A Binding Site BS05

Receptor Information
>8tav Chain A (length=241) Species: 1385527 (Staphylococcus aureus USA300-0114) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPKPFFFEEGKRAVLLLHGFTGNSSDVRQLGRFLQKKGYTSYAPQYEGHA
APPDEILKSSPFVWFKDALDGYDYLVEQGYDEIVVAGLSLGGDFALKLSL
NRDVKGIVTMCAPMGGKTEGAIYEGFLEYARNFKKYEGKDQETIDNEMDH
FKPTETLKELSEALDTIKEQVDEVLDPILVIQAENDNMIDPQSANYIYDH
VDSDDKNIKWYSESGHVITIDKEKEQVFEDIYQFLESLDWS
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 chain8tav Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tav FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
Resolution1.39 Å
Binding residue
(original residue number in PDB)		D149 D153
Binding residue
(residue number reindexed from 1)		D145 D149
Annotation score1
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0106435 carboxylesterase activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:8tav, PDBe:8tav, PDBj:8tav
PDBsum8tav
PubMed
UniProtQ2G025

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