Structure of PDB 4q93 Chain A Binding Site BS01

Receptor Information
>4q93 Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSPEEKLHLITRNLQEVLGEEKLKEILKERELKIYWGTATTGKPHVAYF
VPMSKIADFLKAGCEVTILFADLHAYLDNMKAPWELLELRVSYYENVIKA
MLESIGVPLEKLKFIKGTDYQLSKEYTLDVYRLSSVVTQHDSKKAGAEVV
KQVEHPLLSGLLYPGLQALDEEYLKVDAQFGGIDQRKIFTFAEKYLPALG
YSKRVHLMNPMVPGLTGSKIDLLDRKEDVKKKLKKAFCEPGNVENNGVLS
FIKHVLFPLKSEFVILRDEKWGGNKTYTAYVDLEKDFAAEVVHPGDLKNS
VEVALNKLLDPIREKFNTPALKKLASAAYP
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain4q93 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q93 A human tRNA synthetase is a potent PARP1-activating effector target for resveratrol.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y39 G41 L72 H77 Y166 Q170 D173
Binding residue
(residue number reindexed from 1)		Y36 G38 L69 H74 Y163 Q167 D170
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.65,Ki=22.3uM
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:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4q93, PDBe:4q93, PDBj:4q93
PDBsum4q93
PubMed25533949
UniProtP54577|SYYC_HUMAN Tyrosine--tRNA ligase, cytoplasmic (Gene Name=YARS1)

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