Structure of PDB 4ber Chain A Binding Site BS03

Receptor Information
>4ber Chain A (length=475) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVKIMPNLPGLYFLQAYPSEEIWRLFVDGRFWSKENGWRGYESREPGCLN
AALESLCSIALQVEKSGEEFELSVDLIKRIHKKCGKKVEELQEKNPGELR
TDEPVSFGIPAGRASIKGIEEFLSLVFLTEGGAEFGPGKAGPFGPRFDKN
YFKNLNPEQIPDLAKQIYFDMCKYGHSNTNHFYLAVMKNVDVYLEKITQS
YNKEIKTAETLDEKLKIIVKHIRMYEVLHPFRDANGRTFVNNLLNIPLMQ
QGLPPATFYEPNVFDLYSAEELVVVVKEAIFNTVEIIEQSKRKTPITLYG
YHSSLEEQTKFRDMLDSPSYEKIKHMDFLNPEKLHLKTQKCLSSLNEQYP
LHRGAIYLSDPGEIKLLLSNRNESQINQQIEQGAPPIYVGKTPAHLAVIS
GNMAMLDELIAKKADLSLQDYDGKTALHYAAECGNMQIMGKILKVVLSQE
DAIKVLNIKDNHGKTAFHYAAEFGT
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4ber Chain A Residue 2001 [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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PDB4ber Structure of the Legionella Effector Ankx Reveals the Mechanism of Phosphocholine Transfer by the Fic Domain.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T297 I358 N404
Binding residue
(residue number reindexed from 1)		T297 I356 N402
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.-
External links
PDB RCSB:4ber, PDBe:4ber, PDBj:4ber
PDBsum4ber
PubMed23572077
UniProtQ5ZXN6|ANKX_LEGPH Phosphocholine transferase AnkX (Gene Name=ankX)

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