Structure of PDB 5yle Chain A Binding Site BS01

Receptor Information
>5yle Chain A (length=331) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKDTIYHAKDAVQATKPDMRKPRLVVFVVGETARADHVSFNGYERDTFPQ
LAKIDGVTNFSNVTSCGTSTAYSVPCMFSYLGADEYDVDTAKYQENVLDT
LDRLGVSILWRDNNSDSKGVMDKLPKAQFADYKSATNNAICNTNPYNECR
DVGMLVGLDDFVAANNGKDMLIMLHQMGNHGPAYFKRYDEKFAKFTPVCE
GNELAKCEHQSLINAYDNALLATDDFIAQSIQWLQTHSNAYDVSMLYVSD
HGESLGENGVYLHGMPNAFAPKEQRSVPAFFWTDKQTGITPMATDTVLTH
DAITPTLLKLFDVTADKVKDRTAFIRLEHHH
Ligand information
Ligand IDETA
InChIInChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
InChIKeyHZAXFHJVJLSVMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCO
ACDLabs 12.01OCCN
OpenEye OEToolkits 1.7.0C(CO)N
FormulaC2 H7 N O
NameETHANOLAMINE
ChEMBLCHEMBL104943
DrugBankDB03994
ZINCZINC000008214617
PDB chain5yle Chain A Residue 401 [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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PDB5yle Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T70 N114 H180
Binding residue
(residue number reindexed from 1)		T70 N114 H180
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.-.-
Gene Ontology
Molecular Function
GO:0016772 transferase activity, transferring phosphorus-containing groups

View graph for
Molecular Function
External links
PDB RCSB:5yle, PDBe:5yle, PDBj:5yle
PDBsum5yle
PubMed29079699
UniProtA0A0R6L508|MCR1_ECOLX Probable phosphatidylethanolamine transferase Mcr-1 (Gene Name=mcr1)

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