Structure of PDB 3njl Chain A Binding Site BS01

Receptor Information
>3njl Chain A (length=119) Species: 70863 (Shewanella oneidensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLAQFIKVNVTLENGEPVFIYTDANGQVCQGDITVTQAGTITYLLNDQT
LKGLKFVGVGFVTPFDGIIDAVTISSDGMLVQLVDLDKTPGTTKFQFVLS
NTANTLLVLSPAPQIINRP
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 chain3njl Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3njl Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G71 D74 D91 T93
Binding residue
(residue number reindexed from 1)		G67 D70 D87 T89
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3njl, PDBe:3njl, PDBj:3njl
PDBsum3njl
PubMed22493430
UniProtQ8EGA7

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