Structure of PDB 6w04 Chain A Binding Site BS01

Receptor Information
>6w04 Chain A (length=223) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEAVLFDFNGTLIFDTPLHAFCWKEMAKRIRGTPLSEDEFKLLNGRTNKQ
LIEHILNKEISDEDAKKYAEEKENLYRTMLMKSDIKLCDGAINLFEALKK
CNIPFTIATSSDWGNVQVFIQKYHLEEWFDIDKIIFNDFTFKGKPAPDIY
LKASKKLGVSISHCIVFEDTISGIHSALSAGATPIGIASEMTVNELLQIK
GCNLAIHTFNEITIEEMVDLIKN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6w04 Chain A Residue 301 [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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PDB6w04 Crystal structure of HAD hydrolase, family IA, variant 3 from Entamoeba histolytica HM-1:IMSS
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D7 N9 D169
Binding residue
(residue number reindexed from 1)		D7 N9 D169
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D7 F8 N9 D15 N44 T109 S110 K144 E168 D169
Catalytic site (residue number reindexed from 1) D7 F8 N9 D15 N44 T109 S110 K144 E168 D169
Enzyme Commision number 3.-.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6w04, PDBe:6w04, PDBj:6w04
PDBsum6w04
PubMed
UniProtC4LXK0

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