Structure of PDB 8w9i Chain A

Receptor sequence

>8w9iA (length=572) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence]

HHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLR
VLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKD
RHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFG
LMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQAD
NGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSA
TEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRG
DHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVD
RSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGK
GTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSR
VVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELT
AAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGR
RDSESQNLPIGELMSFITEKLS

3D structure

PDB

8w9i Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase

Chain

Resolution

2.45 Å

3D
structure

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Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	W2H	A	T109 E111 R140 M150 G152 F155 M157 D159 Y161 F413 Y442 G443 R448	T111 E113 R142 M152 G154 F157 M159 D161 Y163 F415 Y444 G445 R450
BS02	MG	A	A308 Q310 V313	A310 Q312 V315

External links

PDB	RCSB:8w9i, PDBe:8w9i, PDBj:8w9i
PDBsum	8w9i
PubMed
UniProt	Q9I502\|SYP_PSEAE Proline--tRNA ligase (Gene Name=proS)

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