Structure of PDB 3kt3 Chain A Binding Site BS02

Receptor Information
>3kt3 Chain A (length=409) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKSTDVKEQVVTPWDVEGGVDEQGRAQNIDYDKLIKQFGTKPVNEETLKR
FKQVTGREPHHFLRKGLFFSERDFTKILDLYEQGKPFFLYTGRGPSSDSM
HLGHMIPFVFTKWLQEVFDVPLVIELTDDEKFLFKHKLTINDVKNFAREN
AKDIIAVGFDPKNTFIFSDLQYMGGAFYETVVRVSRQITGSTAKAVFGFN
DSDCIGKFHFASIQIATAFPSSFPNVLGLPDKTPCLIPCAIDQDPYFRVC
RDVADKLKYSKPALLHSRFFPALQGSTTKMSASDDTTAIFMTDTPKQIQK
KINKYAFSGGQVSADLHRELGGNPDVDVAYQYLSFFKDDDVFLKECYDKY
KSGELLSGEMKKLCIETLQEFVKAFQERRAQVDEETLDKFMVPHKLVWGE
KERLVAPKP
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3kt3 Chain A Residue 439 [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]
PDB3kt3 Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R109 H117 H120 S297 A298
Binding residue
(residue number reindexed from 1)		R93 H101 H104 S281 A282
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.2: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004830 tryptophan-tRNA ligase activity
GO:0005524 ATP binding
GO:1990825 sequence-specific mRNA binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3kt3, PDBe:3kt3, PDBj:3kt3
PDBsum3kt3
PubMed20123733
UniProtQ12109|SYWC_YEAST Tryptophan--tRNA ligase, cytoplasmic (Gene Name=WRS1)

[Back to BioLiP]