Structure of PDB 5xu1 Chain A Binding Site BS01

Receptor Information
>5xu1 Chain A (length=221) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQLISLKNIFRSYELQVLKNINLEVNEGEFVAIMGPSGSGKSTLMNTIGM
LDTPTSGEYYLEGQEVAGLGEKQLAKVRNQQIGFVFQQFFLLSKLNALQN
VELPLIYAGVSSSKRRKLAEEYLDKVELTERSHHLPSELSGGQKQRVAIA
RALVNNPSIILADEPTGALDTKTGNQIMQLLVDLNKEGKTIIMVTHEPEI
AAYAKRQIVIRDGVISSDSAQ
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 chain5xu1 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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PDB5xu1 Structure of a MacAB-like efflux pump from Streptococcus pneumoniae.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G44 K47
Binding residue
(residue number reindexed from 1)		G38 K41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5xu1, PDBe:5xu1, PDBj:5xu1
PDBsum5xu1
PubMed29335499
UniProtQ8DQF8

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