Structure of PDB 8w8l Chain B Binding Site BS02

Receptor Information
>8w8l Chain B (length=563) Species: 1339263 (Pseudomonas aeruginosa 148) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRTSQYLPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLRVLRKVETI
VREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKDRHEREFCV
GPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFGLMRGREFI
MKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQADNGSIGGSG
SHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSATEDMRLVD
TPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRGDHELNEIK
AANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVDRSVALMSD
FAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGKGTLVIKRG
IEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSRVVAAAIEQ
NHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELTAAGFEVLL
DDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGRRDSESQNL
PIGELMSFITEKL
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 chain8w8l Chain B Residue 603 [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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PDB8w8l Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase
Resolution1.824 Å
Binding residue
(original residue number in PDB)		S22 H23 F147 G148
Binding residue
(residue number reindexed from 1)		S16 H17 F141 G142
Annotation score1
External links
PDB RCSB:8w8l, PDBe:8w8l, PDBj:8w8l
PDBsum8w8l
PubMed
UniProtQ9I502|SYP_PSEAE Proline--tRNA ligase (Gene Name=proS)

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