Structure of PDB 3fef Chain C Binding Site BS01

Receptor Information
>3fef Chain C (length=434) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDQIKIAYIGGGSQGWARSLMSDLSIDERMSGTVALYDLDFEAAQKNEVI
GNHSGNGRWRYEAVSTLKKALSAADIVIISILPGSLDDMEVDVHLPERCG
IYQSVGDTVGPGGIIRGLRAVPIFAEIARAIRDYAPESWVINYTNPMSVC
TRVLYKVFPGIKAIGCCHEVFGTQKLLAEMVTERLGIEVPRREDIRVNVL
GINHFTWITKASYRHIDLLPIFREFSAHYGESGYELEGECWRDSVFCSAH
RVAFDLFETYGAIPAAGDRHLAEFLPGPYLKQPEVWKFHLTPISFRKQDR
AEKRQETERLIVQQRGVAEKASGEEGVNIIAALLGLGELVTNVNMPNQGQ
VLNLPIQAIVETNAFITRNRVQPILSGALPKGVEMLAARHISNQEAVADA
GLTKDTGLAFQAFLNDPLVQIDRSDAEQLFNDML
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 chain3fef Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fef Crystal structure of putative glucosidase lplD from bacillus subtilis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C173 H210
Binding residue
(residue number reindexed from 1)		C167 H204
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.67: galacturonan 1,4-alpha-galacturonidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
GO:0047911 galacturan 1,4-alpha-galacturonidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3fef, PDBe:3fef, PDBj:3fef
PDBsum3fef
PubMed
UniProtP39130|LPLD_BACSU Alpha-galacturonidase (Gene Name=lplD)

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