Structure of PDB 1yi8 Chain C Binding Site BS01

Receptor Information
>1yi8 Chain C (length=331) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARPRVLTGDRPTGALHLGHLAGSLQNRVRLQDEAELFVLLADVQALTDHF
DRPEQVRENVLAVALDYLAAGLDPQKTTCVVQSAVPELAELTVYFLNLVT
VSHLRQNPTVKAEIAQKGYGERVPAGFFVYPVSQAADIAAFGATLVPVGD
DQLPMLEQTREIVRRFNALYAPVLAEPQAQLSRVPRLPGLDGQAKMSKSL
GNAIALGDSADEVARKVMGMYTDPGHLRASDPGRVEGNPVFTFLDAFDPD
PARVQALKDQYRAGGLGDVKVKKHLIDVLNGVLAPIRTRRAEYERDPDAV
LRFVTEGTARGREVAAQTLGQVRRAMRLFGH
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 chain1yi8 Chain C Residue 3000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yi8 Structure and activity of an aminoacyl-tRNA synthetase that charges tRNA with nitro-tryptophan.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G28 Q64 Q154
Binding residue
(residue number reindexed from 1)		G8 Q44 Q134
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E133 K215 K218
Catalytic site (residue number reindexed from 1) E113 K195 K198
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
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:1yi8, PDBe:1yi8, PDBj:1yi8
PDBsum1yi8
PubMed15723076
UniProtQ9RVD6|SYW2_DEIRA Tryptophan--tRNA ligase 2 (Gene Name=trpS2)

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