Structure of PDB 3kt3 Chain D Binding Site BS02

Receptor Information

>3kt3 Chain D (length=409) Species: 4932 (Saccharomyces cerevisiae)

LKSTDVKEQVVTPWDVEGGVDEQGRAQNIDYDKLIKQFGTKPVNEETLKR
FKQVTGREPHHFLRKGLFFSERDFTKILDLYEQGKPFFLYTGRGPSSDSM
HLGHMIPFVFTKWLQEVFDVPLVIELTDDEKFLFKHKLTINDVKNFAREN
AKDIIAVGFDPKNTFIFSDLQYMGGAFYETVVRVSRQITGSTAKAVFGFN
DSDCIGKFHFASIQIATAFPSSFPNVLGLPDKTPCLIPCAIDQDPYFRVC
RDVADKLKYSKPALLHSRFFPALQGSTTKMSASDDTTAIFMTDTPKQIQK
KINKYAFSGGQVSADLHRELGGNPDVDVAYQYLSFFKDDDVFLKECYDKY
KSGELLSGEMKKLCIETLQEFVKAFQERRAQVDEETLDKFMVPHKLVWGE
KERLVAPKP

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  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
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3kt3 Chain D Residue 439

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kt3 Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): H117 H120 S297 A298
• Binding residue (residue number reindexed from 1): H101 H104 S281 A282
• Annotation score: 1

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

External links

• PDB: RCSB:3kt3, PDBe:3kt3, PDBj:3kt3
• PDBsum: 3kt3
• PubMed: 20123733
• UniProt: Q12109|SYWC_YEAST Tryptophan--tRNA ligase, cytoplasmic (Gene Name=WRS1)