Structure of PDB 8w9i Chain A Binding Site BS02

Receptor Information
>8w9i Chain A (length=572) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLR
VLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKD
RHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFG
LMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQAD
NGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSA
TEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRG
DHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVD
RSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGK
GTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSR
VVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELT
AAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGR
RDSESQNLPIGELMSFITEKLS
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 chain8w9i Chain A Residue 602 [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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PDB8w9i Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase
Resolution2.45 Å
Binding residue
(original residue number in PDB)		A308 Q310 V313
Binding residue
(residue number reindexed from 1)		A310 Q312 V315
Annotation score1
External links
PDB RCSB:8w9i, PDBe:8w9i, PDBj:8w9i
PDBsum8w9i
PubMed
UniProtQ9I502|SYP_PSEAE Proline--tRNA ligase (Gene Name=proS)

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