Structure of PDB 8dte Chain A Binding Site BS01

Receptor Information
>8dte Chain A (length=172) Species: 521006 (Neisseria gonorrhoeae NCCP11945) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPADAVGQIRQNATQVLTILKSGDAASARPKAEAYAVPYFDFQRMTALAV
GNPWRTASDAQKQALAKEFQTLLIRTYSGTMLKFKNATVNVKDNPIVNKG
GKEIVVRAEVGIPGQKPVNMDFTTYQSGGKYRTYNVAIEGTSLVTVYRNQ
FGEIIKAKGIDGLIAELKAKNG
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 chain8dte Chain A Residue 201 [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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PDB8dte Crystal Structure of a toluene tolerance periplasmic transport protein from Neisseria gonorrhoeae
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N112 V113 D115
Binding residue
(residue number reindexed from 1)		N90 V91 D93
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8dte, PDBe:8dte, PDBj:8dte
PDBsum8dte
PubMed
UniProtB4RRD5

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