Structure of PDB 5xe5 Chain B Binding Site BS01

Receptor Information
>5xe5 Chain B (length=280) Species: 561007 (Mycobacteroides abscessus ATCC 19977) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHPITYYPVDTQRLVRSNAERIRHKPYAHYFNPDVAVPEEVFAALKAPLE
PEQVLGTSSTELNRLLEPGYLEGETGYCGLPDGAGYTSSLVRFPGATPEM
FRWWFWWHSFEPERYSLWHPWCHADIWRTDPETETAPNLTDEQRYVGSTH
HINEYIGQDPLDIEITFIDPARWGFDADGFAAAGIGAHACGSVLMKGSHM
RLATMVHLARITDDGFELRSRYWIADRAEPRHDPVAGIAQLTTVPGFSGE
RQAYEQLVHDQTEFNHLATFLPDIYQEFGP
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 chain5xe5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xe5 Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		E164 E273
Binding residue
(residue number reindexed from 1)		E154 E263
Annotation score1
Enzymatic activity
Enzyme Commision number 3.7.1.4: phloretin hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050180 phloretin hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5xe5, PDBe:5xe5, PDBj:5xe5
PDBsum5xe5
PubMed30784195
UniProtB1MK49|PHY_MYCA9 Phloretin hydrolase (Gene Name=MAB_4487c)

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