Structure of PDB 8uk6 Chain A Binding Site BS01

Receptor Information
>8uk6 Chain A (length=573) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PERSMFSEGFLGDLHKPGEEPQMYPELLEEHKKFICDKVYTRFPPEPNGF
LHIGHSKAIMVNFGYAQFNKGNCYLRFDDTNPEAEEEVYFNSIKEMVSWL
GYKPWKITYSSDYFDELYELAIKLIKSDKAYICHCTPEEVKASRGLGERV
ACKHRFQTVEHNLREFENMKNGKYNVGEATLRMKQDLNSPSPQMWDLVAY
RVLNTPHHRTGDKWKIYPTYDFTHCLVDSFENITHSLCTTEFVLSRESYE
WLCDALHVYRPAQREYGRLNLTGTIMSKRKIAKLVNEGYVRGWDDPRLYT
LEGIKRRGVPPGAILSFINTLGVTTSTTNIQTVRFESAVRNYLDQTTPRL
MMVLHPIEVVIDNLDESFSLDVEIPYKPGKDEKSMGYRKLTFSKHIYIDE
NDVRAEPADKEFYRLAPGQPVGLMRVPFNISFKSIEEKDGKKIVHVNYDE
GVKAKPKTYIQWIPKDTAVHIKEVRIYNQLFKSENPSAHPEGYLKDINPD
SEEVLRNAVVEENLKDIVAKSPMNIEIPGSAFNIKENKGNNTVRFQALRE
GYFCLDKDSKEDGLILNRIVSLK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8uk6 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8uk6 Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-beta-thiophenylacrylamides exerts highly selective antifungal activity.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		C372 H374
Binding residue
(residue number reindexed from 1)		C152 H154
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.18: glutamine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004819 glutamine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
GO:1990825 sequence-specific mRNA binding
Biological Process
GO:0000472 endonucleolytic cleavage to generate mature 5'-end of SSU-rRNA from (SSU-rRNA, 5.8S rRNA, LSU-rRNA)
GO:0000480 endonucleolytic cleavage in 5'-ETS of tricistronic rRNA transcript (SSU-rRNA, 5.8S rRNA, LSU-rRNA)
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006425 glutaminyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
GO:0071466 cellular response to xenobiotic stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8uk6, PDBe:8uk6, PDBj:8uk6
PDBsum8uk6
PubMed38402621
UniProtA0A1D8PQM9

[Back to BioLiP]