Structure of PDB 6dlx Chain B Binding Site BS01

Receptor Information
>6dlx Chain B (length=300) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFARLKRSLLKTKENLGSGFISLFRGKKIDDDLFEELEEQLLIADVGVET
TRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVDEPLNVEGKAPF
VILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWG
QRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLM
EELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGIT
LTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFA
Ligand information
Ligand IDGXY
InChIInChI=1S/C8H10BrNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3
InChIKeyYLONQFVJDASUEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1cc(Br)c(OC)cc1N
OpenEye OEToolkits 2.0.6COc1cc(c(cc1Br)OC)N
FormulaC8 H10 Br N O2
Name4-bromo-2,5-dimethoxyaniline
ChEMBL
DrugBank
ZINCZINC000009372393
PDB chain6dlx Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dlx Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
Resolution1.848 Å
Binding residue
(original residue number in PDB)		D359 F365 V403 K406
Binding residue
(residue number reindexed from 1)		D165 F171 V209 K212
Annotation score1
Binding affinityMOAD: Kd~480uM
Enzymatic activity
Enzyme Commision number 3.6.5.4: signal-recognition-particle GTPase.
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006614 SRP-dependent cotranslational protein targeting to membrane

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6dlx, PDBe:6dlx, PDBj:6dlx
PDBsum6dlx
PubMed30044812
UniProtP10121|FTSY_ECOLI Signal recognition particle receptor FtsY (Gene Name=ftsY)

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