Structure of PDB 5ihx Chain A Binding Site BS01

Receptor Information
>5ihx Chain A (length=360) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEEGKKEWAQFAQEIKEGKRKSFVEHLEERGLIHDVVGDRDLLHRVFTEK
RVGIYAGVDPTAPSMHVGHMLPFMVLAWGYVWGLPVTFLLGGATSRVGDP
TGRLKGREQVHSSVRKANMASMHMQLKKLGASIERYGEKHGYKRQMIWRR
TLTNNNVWWNKTPLLEVLRDLGAYIRIGPMLGRDTVKNRMERGDGMSFAE
FTYPLMQAWDWWMLFKNGCQVQVGGSDQYGNILFGVGAVKTISKNTVLQE
DNNPLSDDLDKPIGFTTPLLTTSNAIWLDKDMTSTFELYQFFVRTPDDAV
ERYLKMFTFLPIPEISKIMEEQNQDPSRRVAQHALAYEFVELIHGKDEAD
AVSMQHRQLF
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 chain5ihx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ihx Crystal Structure of a C-terminally truncated Aspergillus nidulans mitochondrial tyrosyl-tRNA synthetase
Resolution2.298 Å
Binding residue
(original residue number in PDB)		G129 L161 D171 Y275 Q279 D282 Q300
Binding residue
(residue number reindexed from 1)		G57 L89 D99 Y203 Q207 D210 Q228
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q279 D299
Catalytic site (residue number reindexed from 1) Q207 D227
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:5ihx, PDBe:5ihx, PDBj:5ihx
PDBsum5ihx
PubMed
UniProtQ5BCM1

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