Structure of PDB 7eer Chain B Binding Site BS02

Receptor Information
>7eer Chain B (length=326) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQD
PHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIG
ELERMTQFKEKSAGKEAVSAGLLTYPPLMAADILLYNTDIVPVGEDQKQH
IELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNP
KAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSG
QSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVL
DEGAEKANRVASEMVRKMEQAMGLGR
Ligand information
Ligand IDZCW
InChIInChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKeyMBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OCCc1c[nH]c2ccccc12
ACDLabs 12.01OCCc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO
FormulaC10 H11 N O
Name2-(1H-indol-3-yl)ethanol
ChEMBLCHEMBL226545
DrugBank
ZINCZINC000000003252
PDB chain7eer Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eer Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with O5E6 and ATP
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F5 S6 G7 V40 H43 Y125 M129 I133 V141 Q147
Binding residue
(residue number reindexed from 1)		F5 S6 G7 V40 H43 Y125 M129 I133 V141 Q147
Annotation score2
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
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:7eer, PDBe:7eer, PDBj:7eer
PDBsum7eer
PubMed
UniProtP00953|SYW_GEOSE Tryptophan--tRNA ligase (Gene Name=trpS)

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