Structure of PDB 4qbt Chain A Binding Site BS01

Receptor Information
>4qbt Chain A (length=329) 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
YSKRVHLMNPMVPGLTGKIDLLDRKEDVKKKLKKAFCEPGNVENNGVLSF
IKHVLFPLKSEFVILRDEKWGGNKTYTAYVDLEKDFAAEVVHPGDLKNSV
EVALNKLLDPIREKFNTPALKKLASAAYP
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain4qbt Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qbt 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 A74 H77 V152 Y166 Q170 D173 Q188
Binding residue
(residue number reindexed from 1)		Y36 G38 L69 A71 H74 V149 Y163 Q167 D170 Q185
Annotation score5
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:4qbt, PDBe:4qbt, PDBj:4qbt
PDBsum4qbt
PubMed25533949
UniProtP54577|SYYC_HUMAN Tyrosine--tRNA ligase, cytoplasmic (Gene Name=YARS1)

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