Structure of PDB 8agg Chain A Binding Site BS01

Receptor Information
>8agg Chain A (length=489) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRDKIITGKKIIFSQSVAKDQTKNLSSFLSERFYSVNQSHNHSIIIGSSL
SHQENDIEHDTILDTSGVLVTTDTNGIVNGARVAITDGLGGGNGDQEEDD
EIYRVSHSSCENFLNCDQNIDTTLSLITQTEASMAAFIYQNHPGKGYIGE
FANIGDGLIIILDKRFKIKHMVSACHIYRGFGTWTPPSLQALATTANKDK
LAEGDIIISMTDGVWGELKTSLIAQTNDRRDIGVDKEYFKTLFDELTDAP
YPSSFDIARIITQRAMSRSLERRKTLIKLINEIEQQHFHEKSVKTINEVL
EYFIKTGHVETAQTLKAILFEDNIEIPLEMVMHDLKSRTVGDCSTINVTR
IPYHLDELIRGFINYPEKHQILAPLFKARVKSEADLEEAFHRLSLEMVQP
EIECPISETHFERAFKKETLDKTQAVLTHYFRISNYQERLNDLSAYLSKE
SSLEKNDIKLLLSMLDSNKLYKAFHKKIELQLLDSEIEN
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 chain8agg Chain A 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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PDB8agg Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		D105 D254 D394
Binding residue
(residue number reindexed from 1)		D87 D212 D342
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0044606 phosphocholine hydrolase activity
Biological Process
GO:0043087 regulation of GTPase activity
Cellular Component
GO:0005576 extracellular region
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8agg, PDBe:8agg, PDBj:8agg
PDBsum8agg
PubMed37076474
UniProtQ5ZXN5|LEM3_LEGPH Phosphocholine hydrolase Lem3 (Gene Name=lem3)

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