Structure of PDB 5w7f Chain B Binding Site BS03

Receptor Information
>5w7f Chain B (length=528) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHGQSCLGCVVLVSVIEQLAEVHNSSVQVAMERLCSYLPEKLFLKTACYF
LVQTFGSDIIKLLDEAMKADVVCYALEFCKRGAVQPQCHLYPLPQEAWES
ALEKARQVLRRICSLPFLTKICQKIELSIKKAVPFKDVDSDKHSVFPTLR
GYHWRGRDCNDSDKTVYPGRRPDNWDIHQDSNCNGIWGIDPKDGIPYEKK
FCEGSQPRGIILLGDAAGAHFHIPPEWLTASQMSVNSFLNLPSALTDELN
WPQLSGVTGFLDSTSGIEEKSIYHRLRKRNHCNHRDYQSISKNGASSRNL
KNFIESLSRNQASDHPAIVLYAMIGNDVCNSKADTVPEMTTPEQMYANVM
QTLTHLNSHLPNGSHVILYGLPDGTFLWDSLHNRYHPLGQLNKDVTYAQF
FSFLRCLQLNPCNGWMSSNKTLRTLTSERAEQLSNTLKKIATTETFANFD
LFYVDFAFHEIIEDWQKRGGQPWQLIEPVDGFHPNEVASLLQANRVWEKI
QLQWPHVLGKENPFNSQIEEVFGDQGGH
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 chain5w7f Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5w7f Crystal structure of the mammalian lipopolysaccharide detoxifier.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D222 N228 N230 E244
Binding residue
(residue number reindexed from 1)		D176 N182 N184 E198
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.77: acyloxyacyl hydrolase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
GO:0050528 acyloxyacyl hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0006631 fatty acid metabolic process
GO:0008653 lipopolysaccharide metabolic process
GO:0009104 lipopolysaccharide catabolic process
GO:0050728 negative regulation of inflammatory response
Cellular Component
GO:0005576 extracellular region
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5w7f, PDBe:5w7f, PDBj:5w7f
PDBsum5w7f
PubMed29343645
UniProtO35298|AOAH_MOUSE Acyloxyacyl hydrolase (Gene Name=Aoah)

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