Structure of PDB 5w78 Chain B Binding Site BS01

Receptor Information
>5w78 Chain B (length=406) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DICSLPVLAKICQKIKLAMEQSVFPTLRGYHWRGRDCNDSDESVYPGRRP
NNWDVHQDSNCNGIWGVDPKDGVPYEKKFCEGSQPRGIILLGDSAGAHFH
ISPEWITASQMSLNSFINLPTALTNELDWPQLSGATGFLDSTVGIKEKSI
YLRLWKRNHCNHRDYQNISRNGASSRNLKKFIESLSRNKVLDYPAIVIYA
MIGNDVCSGKSDPVPAMTTPEKLYSNVMQTLKHLNSHLPNGSHVILYGLP
DGTFLWDNLHNRYHPLGQLNKDMTYAQLYSFLNCLQVSPCHGWMSSNKTL
RTLTSERAEQLSNTLKKIAASEKFTNFNLFYMDFAFHEIIQEWQKRGGQP
WQLIEPVDGFHPNEVALLLLADHFWKKVQLQWPQILGKENPFNPQIKQVF
GDQGGH
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 chain5w78 Chain B Residue 601 [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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PDB5w78 Crystal structure of the mammalian lipopolysaccharide detoxifier.
Resolution2.271 Å
Binding residue
(original residue number in PDB)		D205 N207 D208 D210 V213
Binding residue
(residue number reindexed from 1)		D36 N38 D39 D41 V44
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.77: acyloxyacyl hydrolase.
Gene Ontology
Molecular Function
GO:0016788 hydrolase activity, acting on ester bonds
GO:0050528 acyloxyacyl hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5w78, PDBe:5w78, PDBj:5w78
PDBsum5w78
PubMed29343645
UniProtP28039|AOAH_HUMAN Acyloxyacyl hydrolase (Gene Name=AOAH)

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