Structure of PDB 5w7f Chain B Binding Site BS01

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 601 [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)		D183 D185 D187 H189 D204 D207
Binding residue
(residue number reindexed from 1)		D137 D139 D141 H143 D158 D161
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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