Structure of PDB 5v0i Chain A Binding Site BS02

Receptor Information
>5v0i Chain A (length=321) Species: 155864 (Escherichia coli O157:H7 str. EDL933) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIVFSGAQPSLTIGNYMGALRQWVNMQDDYHCIYCIVDQHAITVRQDAQ
KLRKATLDTLALYLACGIDPEKSTIFVQSHVPEHAQLGWALNCYTYFGEL
SRMTAENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRDIAQR
FNALYGDIFKVPEPFIPKSGARVMSLLEPTKKMSKSDDNRNNVIGLLEDP
KSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIPELEK
QFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDGAEKA
SAHASRTLKAVYEAIGFVAKP
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 chain5v0i Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5v0i Crystal Structure of Tryptophanyl-tRNA Synthetase from Escherichia coli Complexed with AMP and Tryptophan
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F7 G9 Q11 H45 M132 Q150
Binding residue
(residue number reindexed from 1)		F5 G7 Q9 H41 M119 Q137
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K195 K198
Catalytic site (residue number reindexed from 1) K182 K185
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
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5v0i, PDBe:5v0i, PDBj:5v0i
PDBsum5v0i
PubMed
UniProtP67589|SYW_ECO57 Tryptophan--tRNA ligase (Gene Name=trpS)

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