Structure of PDB 5w7c Chain D Binding Site BS01

Receptor Information
>5w7c Chain D (length=419) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDICSLPVLAKICQKIKLAMEQSVPFKDVDSDKYSVFPTLRGYHWRGRDC
NDSDESVYPGRRPNNWDVHQDSNCNGIWGVDPKDGVPYEKKFCEGSQPRG
IILLGDAAGAHFHISPEWITASQMSLNSFINLPTALTNELDWPQLSGATG
FLDSTVGIKEKSIYLRLWKRNHCNHRDYQNISRNGASSRNLKKFIESLSR
NKVLDYPAIVIYAMIGNDVCSGKSDPVPAMTTPEKLYSNVMQTLKHLNSH
LPNGSHVILYGLPDGTFLWDNLHNRYHPLGQLNKDMTYAQLYSFLNCLQV
SPCHGWMSSNKTLRTLTSERAEQLSNTLKKIAASEKFTNFNLFYMDFAFH
EIIQEWQKRGGQPWQLIEPVDGFHPNEVALLLLADHFWKKVQLQWPQILG
KENPFNPQIKQVFGDQGGH
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 chain5w7c Chain D 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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PDB5w7c Crystal structure of the mammalian lipopolysaccharide detoxifier.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D184 D186 D188 Y190 D205 D208
Binding residue
(residue number reindexed from 1)		D28 D30 D32 Y34 D49 D52
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:5w7c, PDBe:5w7c, PDBj:5w7c
PDBsum5w7c
PubMed29343645
UniProtP28039|AOAH_HUMAN Acyloxyacyl hydrolase (Gene Name=AOAH)

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