Structure of PDB 5yle Chain A Binding Site BS02

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5yle Chain A Residue 402 [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)		E31 T70 D250 H251
Binding residue
(residue number reindexed from 1)		E31 T70 D250 H251
Annotation score4
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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