Structure of PDB 1h3e Chain A Binding Site BS03

Receptor Information
>1h3e Chain A (length=427) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTPEEALALLKRGAEEIVPEEELLAKLKEGRPLTVKLGADPTRPDLHLGH
AVVLRKMRQFQELGHKVVLIIGDFTGMIGDPSGRSKTRPPLTLEETRENA
KTYVAQAGKILRQEPHLFELRYNSEWLEGLTFKEVVRLTSLMTVAQMLER
EDFKKRYEAGIPISLHELLYPFAQAYDSVAIRADVEMGGTDQRFNLLVGR
EVQRAYGQSPQVCFLMPLLVGLDGREKMSKSLDNYIGLTEPPEAMFKKLM
RVPDPLLPSYFRLLTDLEEEEIEALLKAGPVPAHRVLARLLTAAYALPQI
PPRIDRAFYESLGYAWEAFGRDKEAGPEEVRRAEARYDEVAKGGIPEEIP
EVTIPASELKEGRIWVARLFTLAGLTPSNAEARRLIQNRGLRLDGEVLTD
PMLQVDLSRPRILQRGKDRFVRVRLSD
Ligand information
Ligand IDTYE
InChIInChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
InChIKeyDBLDQZASZZMNSL-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(CO)N)O
CACTVS 3.370N[CH](CO)Cc1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)CC(N)CO
CACTVS 3.370N[C@H](CO)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](CO)N)O
FormulaC9 H13 N O2
Name4-[(2S)-2-amino-3-hydroxypropyl]phenol;
tyrosinol;
bound form of TYROSINAL
ChEMBL
DrugBank
ZINCZINC000000403178
PDB chain1h3e Chain A Residue 1434 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h3e Class I Tyrosyl-tRNA Synthetase Has a Class II Mode or tRNA Recognition
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K41 G43 A44 D45 D85 Y175 Q179 D182 Q197
Binding residue
(residue number reindexed from 1)		K36 G38 A39 D40 D80 Y170 Q174 D177 Q192
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T47 H52 H55 R89 R93 Q179 D196 K232 K235 S236
Catalytic site (residue number reindexed from 1) T42 H47 H50 R84 R88 Q174 D191 K227 K230 S231
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA 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
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h3e, PDBe:1h3e, PDBj:1h3e
PDBsum1h3e
PubMed12110594
UniProtP83453|SYY_THET2 Tyrosine--tRNA ligase (Gene Name=tyrS)

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