Structure of PDB 1ue0 Chain A Binding Site BS01

Receptor Information
>1ue0 Chain A (length=181) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAA
FQVGDEALILEEGLGRKLLGEGTQVLKTFPGKALEGLPYTPPYPQALEKG
YFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLL
VEPFKGLYFREANRAILRDLRGRGFLFKEES
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain1ue0 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ue0 Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H319 A321 D328
Binding residue
(residue number reindexed from 1)		H119 A121 D128
Annotation score2
Enzymatic activity
Enzyme Commision number 6.1.1.5: isoleucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0002161 aminoacyl-tRNA editing activity
Biological Process
GO:0006418 tRNA aminoacylation for protein translation

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Molecular Function
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Biological Process
External links
PDB RCSB:1ue0, PDBe:1ue0, PDBj:1ue0
PDBsum1ue0
PubMed14672940
UniProtP56690|SYI_THET8 Isoleucine--tRNA ligase (Gene Name=ileS)

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