Structure of PDB 3kt6 Chain A Binding Site BS01

Receptor Information
>3kt6 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 IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain3kt6 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kt6 Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y106 T107 G108 R109 E141 E146 K147 Q230 C255 Q259 F263
Binding residue
(residue number reindexed from 1)		Y90 T91 G92 R93 E125 E130 K131 Q214 C239 Q243 F247
Annotation score5
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:3kt6, PDBe:3kt6, PDBj:3kt6
PDBsum3kt6
PubMed20123733
UniProtQ12109|SYWC_YEAST Tryptophan--tRNA ligase, cytoplasmic (Gene Name=WRS1)

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