Structure of PDB 3tze Chain A Binding Site BS01

Receptor Information
>3tze Chain A (length=360) Species: 284813 (Encephalitozoon cuniculi GB-M1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPVAIDYDKIINQFGCEKFNQALADRLEKLSGKPAHYFFRRGIVFAHRDF
NLLLDEIANNRPFYLYTGRGPSSKTMHIGHTIPFLLCKYMQDAFKIRLVI
QITDDEKFLWKSMRLEDAMAYGRENIKDIVTLGFDPKLTYIFSNVEASHH
FEENILKISKTINLNEAIKVFGFDMSSNIGQVGFPAKEIAPCFSSSFRFI
GKGAMCLVPAAVDQDPFFRLARDKAKALGEKKPSSIYVSLLPDLKGVNRK
MSASDPNSSIYLDDAQDTIRKKIIAYAYSGGRKTGGDIDVDVPFEYLKYF
LDDDQELEKYRSGYIKGEITSKEMKEKCVVVIQEFVSRYQESRKRVTDDD
LRAFIDINKF
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 chain3tze Chain A Residue 386 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3tze Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y84 T85 G86 Q119 T121 E124 E206 Q232 F236
Binding residue
(residue number reindexed from 1)		Y66 T67 G68 Q101 T103 E106 E188 Q214 F218
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
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3tze, PDBe:3tze, PDBj:3tze
PDBsum3tze
PubMed28303005
UniProtO96771|SYW_ENCCU Tryptophan--tRNA ligase (Gene Name=ECU11_0530)

[Back to BioLiP]