Structure of PDB 6li4 Chain B Binding Site BS01

Receptor Information
>6li4 Chain B (length=326) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGSTIYHAKDAVQATKPDMRKPRLVVFVVGETARADHVSFNGYERDTFPQ
LAKIDGVTNFSNVTSCGTSTAYSVPCMFSYLGADEYDVDTAKYQENVLDT
LDRLGVSILWRDNNSDSKGVMDKLPKAQFADYKSATNNAICNTNPYNECR
DVGMLVGLDDFVAANNGKDMLIMLHQMGNHGPAYFKRYDEKFAKFTPVCE
GNELAKCEHQSLINAYDNALLATDDFIAQSIQWLQTHSNAYDVSMLYVSD
HGESLGENGVYLHGMPNAFAPKEQRSVPAFFWTDKQTGITPMATDTVLTH
DAITPTLLKLFDVTADKVKDRTAFIR
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 chain6li4 Chain B Residue 601 [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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PDB6li4 Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		E246 T285 D465 H466
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:6li4, PDBe:6li4, PDBj:6li4
PDBsum6li4
PubMed33067430
UniProtA0A0R6L508|MCR1_ECOLX Probable phosphatidylethanolamine transferase Mcr-1 (Gene Name=mcr1)

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