Structure of PDB 4bep Chain A Binding Site BS01

Receptor Information
>4bep Chain A (length=478) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPNLPGLYFLQAYPSEEIWRLFVDGRFWSKENGWRGYESREPGCLNAALE
SLCSIALQVEKSGEEFELSVDLIKRIHKKCGKKVEELQEKNPGELRTDEP
VSFGIPAGRASIKGIEEFLSLVFLTEGGAEFGPGKAGPFGPRFDKNYFKN
LNPEQIPDLAKQIYFDMCKYGHSNTNHFYLAVMKNVDVYLEKITQSYNKE
IKTAETLDEKLKIIVKHIRMYEVLHPFRDANGRTFVNNLLNIPLMQQGLP
PATFYEPNVFDLYSAEELVVVVKEAIFNTVEIIEQSKRKTPITLYGYHSS
LEEQTKFRDMLDSPSYEKIKHMDFSDLNPEKLHLKTQKCLSSLNEQYPLH
RGAIYLSDPGEIKLLLSNRNESQINQQIEQGAPPIYVGKTPAHLAVISGN
MAMLDELIAKKADLSLQDYDGKTALHYAAECGNMQIMGKILKVVLSQEDA
IKVLNIKDNHGKTAFHYAAEFGTPELIS
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 chain4bep Chain A Residue 1486 [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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PDB4bep Structure of the Legionella Effector Ankx Reveals the Mechanism of Phosphocholine Transfer by the Fic Domain.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		S106 F107
Binding residue
(residue number reindexed from 1)		S102 F103
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.-
External links
PDB RCSB:4bep, PDBe:4bep, PDBj:4bep
PDBsum4bep
PubMed23572077
UniProtQ5ZXN6|ANKX_LEGPH Phosphocholine transferase AnkX (Gene Name=ankX)

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