Structure of PDB 3a31 Chain A Binding Site BS01

Receptor Information
>3a31 Chain A (length=465) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTHIDYAYELDITVKPDSRVPVFNREFATFTGAGVPLFSLGGGPIRYALA
EVLAKFHARRGYYVVETPIIASTELFKVSGHIEFYRNNMYLFDIEGHEFA
VKPMNCPYHILLFLNEVAKHRSKLPLPFKVFEFGRVHRYEPSGSIYGLLR
VRGFTQDDAHIIVPGGRVIDVVYDVFEEMKLVLERLFKLGVSSETFKVRL
SMSDKSLIGKEFMGSKEEWEGAEEALREAASRINEKYGIDIVELEGEAAF
YGPKLDFIMMVEESGVSKEWQMGTIQFDFNLPRRFRLYDVVREEFGIEEV
YIIHRALLGSIERFLGVYLEHRRGRMPFTLAPIQFAVIAVKTGGEVDREI
EDLASSIAKGLLDKGFRVAVKGSSKTGLSSDVRHIESTAKPAVNVFIGAK
EVREKVLDVRVFDLESMKRRRLAIAYGDAADAVENLAAVAEELESPVRSL
SGQAPRIPADFSFML
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3a31 Chain A Residue 743 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a31 Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C112 H166 H310
Binding residue
(residue number reindexed from 1)		C106 H160 H304
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C112 R144 Q162 D164 H166 K260 H310
Catalytic site (residue number reindexed from 1) C106 R138 Q156 D158 H160 K254 H304
Enzyme Commision number 6.1.1.3: threonine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004829 threonine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006435 threonyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3a31, PDBe:3a31, PDBj:3a31
PDBsum3a31
PubMed19761773
UniProtQ9YDW0|SYTC_AERPE Threonine--tRNA ligase catalytic subunit (Gene Name=thrS-cat)

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