Structure of PDB 3p0h Chain B Binding Site BS01

Receptor Information
>3p0h Chain B (length=598) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMNTDERYKLLRSVGEECIQESELRNLIEKKPLIRCYDGFEPSGRMHI
AQGIFKAVNVNKCTAAGCEFVFWVADWFALMNDGGELEKIRIVGRYLIEV
WKAAGMDMDKVLFLWSSEEITSHADTYWRMVLDIGRQNTIARIKKCCGTL
TAAQVLYPLMQCCDIFFLKADICQLGLDQRKVNMLAREYCDLIGRKLKPV
ILSHHMLAGLKQGQAKMSKSDPDSAIFMEDTEEDVARKIRQAYCPRVKQS
ASAITDDGAPVATDDRNPVLDYFQCVVYARPGAAATIDGTTYATYEDLEQ
AFVSDEVSEDALKSCLIDEVNALLEPVRQHFASNEEAHELLEAVKSYRKA
LPAAPAKPHACMWMPALLKVPLDVAEGMIKVTKDFIAAHPEGTVTLVLPD
WSAVASDEITGVEKDISAALQVNCALLKAYGLPSSVKIVTENEVILGNCD
DFWVSVIGIARKNLLSHVEELYGGEVRNAGQVIAALMRVATALMLSVSHV
ISTSLDGHINAFAREYTKERIDCVQTLEGDDVLYLDDNDMDIRRKIKKAV
ISVAQHLLAAAVLQLLLDRSAQARALLNGELKKNMTVLRNAEKKMAKK
Ligand information
Ligand IDFSE
InChIInChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChIKeyXHEFDIBZLJXQHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.7.0c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
ACDLabs 12.01O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3
FormulaC15 H10 O6
Name3,7,3',4'-TETRAHYDROXYFLAVONE;
Fisetin;
2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE
ChEMBLCHEMBL31574
DrugBankDB07795
ZINCZINC000000039111
PDB chain3p0h Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p0h The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y36 D37 G38 W70 Q167 D170 L181 G182 D184 Q185
Binding residue
(residue number reindexed from 1)		Y39 D40 G41 W73 Q161 D164 L175 G176 D178 Q179
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004831 tyrosine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p0h, PDBe:3p0h, PDBj:3p0h
PDBsum3p0h
PubMed21420975
UniProtQ4QFJ7

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