Structure of PDB 3kt0 Chain A Binding Site BS01

Receptor Information
>3kt0 Chain A (length=373) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDYDKLIKQFGTKPVNEETLKRFKQVTGREPHHFLRKGLFFSERDFTKIL
DLYEQGKPFFLYTGRGPSSDSMHLGHMIPFVFTKWLQEVFDVPLVIELTD
DEKFLFKHKLTINDVKNFARENAKDIIAVGFDPKNTFIFSDLQYMGGAFY
ETVVRVSRQITGSTAKAVFGFNDSDCIGKFHFASIQIATAFPSSFPNVLG
LPDKTPCLIPCAIDQDPYFRVCRDVADKLKYSKPALLHSRFFPALQGDDT
TAIFMTDTPKQIQKKINKYAFSGGQVSADLHRELGGNPDVDVAYQYLSFF
KDDDVFLKECYDKYKSGELLSGEMKKLCIETLQEFVKAFQERRAQVDEET
LDKFMVPHKLVWGEKERLVAPKP
Ligand information
Ligand IDEMN
InChIInChI=1S/C10H23NO3/c1-9(6-13-5-4-12-3)7-14-8-10(2)11/h9-10H,4-8,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyZLTQYKCRSAAZMB-ZJUUUORDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@H](COCCOC)COC[C@H](C)N
CACTVS 3.352COCCOC[CH](C)COC[CH](C)N
CACTVS 3.352COCCOC[C@@H](C)COC[C@H](C)N
OpenEye OEToolkits 1.7.0CC(COCCOC)COCC(C)N
FormulaC10 H23 N O3
Name(2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine
ChEMBL
DrugBank
ZINCZINC000058632447
PDB chain3kt0 Chain A Residue 439 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kt0 Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y106 P123
Binding residue
(residue number reindexed from 1)		Y62 P79
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3kt0, PDBe:3kt0, PDBj:3kt0
PDBsum3kt0
PubMed20123733
UniProtQ12109|SYWC_YEAST Tryptophan--tRNA ligase, cytoplasmic (Gene Name=WRS1)

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