Structure of PDB 4ts1 Chain B Binding Site BS01

Receptor Information
>4ts1 Chain B (length=311) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLLAELQWRGLVNQTTDEDGLRKLLNEERVTLYCGFDPTADSLHIGHLA
TILTMRRFQQAGHRPIALVGGATGLIGDPSGKKSERTLNAKETVEAWSAR
IKEQLGRFLDFEADGNPAKIKNNYDWIGPLDVITFLRDVGKHFSVNYMMA
KESVQSRIETGISFTEFSYMMLQAYDFLRLYETEGCRLQIGGSDQWGNIT
AGLELIRKTKGRAFGLTIPLVTKADGTKFGKTESGTIWLDKEKTSPYEFY
QFWINTDDRDVIRYLKYFTFLSKEEIEALEQELREAPEKRAAQKTLAEEV
TKLVHGEEALR
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 chain4ts1 Chain B Residue 320 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ts1 Crystal structure of a deletion mutant of a tyrosyl-tRNA synthetase complexed with tyrosine.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y34 G36 D78 Y169 Q173 D176 Q195
Binding residue
(residue number reindexed from 1)		Y34 G36 D78 Y169 Q173 D176 Q195
Annotation score5
Binding affinityMOAD: Kd=11.6uM
Enzymatic activity
Catalytic site (original residue number in PDB) T40 H45 H48 K82 R86 Q173 D194 K230 K233 T234
Catalytic site (residue number reindexed from 1) T40 H45 H48 K82 R86 Q173 D194 K228 K231 T232
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4ts1, PDBe:4ts1, PDBj:4ts1
PDBsum4ts1
PubMed3612807
UniProtP00952|SYY_GEOSE Tyrosine--tRNA ligase (Gene Name=tyrS)

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