Structure of PDB 6cvd Chain B Binding Site BS01

Receptor Information
>6cvd Chain B (length=303) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFARLKRSLLKTKENLGSGFISLFRGKKIDDDLFEELEEQLLIADVGVET
TRKIITNLTEGASRKQLRDAEALYGLLKEEMGEILAKVDEPLNVEGKAPF
VILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWG
QRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLM
EELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGIT
LTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFA
RED
Ligand information
Ligand ID4ME
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
InChIKeyWEAXQUBYRSEBJD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)c1cccc2[nH]ccc12
OpenEye OEToolkits 1.9.2COC(=O)c1cccc2c1cc[nH]2
ACDLabs 12.01O=C(OC)c1cccc2c1ccn2
FormulaC10 H9 N O2
Namemethyl 1H-indole-4-carboxylate
ChEMBLCHEMBL3416133
DrugBank
ZINCZINC000000391098
PDB chain6cvd 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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PDB6cvd Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		T307 Q339 W343
Binding residue
(residue number reindexed from 1)		T113 Q145 W149
Annotation score1
Binding affinityMOAD: Kd~100uM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6cvd, PDBe:6cvd, PDBj:6cvd
PDBsum6cvd
PubMed30044812
UniProtP10121|FTSY_ECOLI Signal recognition particle receptor FtsY (Gene Name=ftsY)

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