Structure of PDB 1jzs Chain A Binding Site BS01

Receptor Information
>1jzs Chain A (length=821) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKEVGEPNFPKLEEEVLAFWKREKIFQKSVENRKGGPRYTVYEGPPTAN
GLPHVGHAQARSYKDLFPRYKTMRGYYAPRRAGWDTHGLPVELEVEKKLG
LKSKREIEAYGIERFNQACRESVFTYEKEWEAFTERIAYWVDLEDAYATL
EPTYIESIWWSLKNLFDRGLLYRDHKVVPYCPRCGTPLSSHEVALGYKEI
QDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAA
FQVGDEALILEEGLGRKLLGEGTQVLKTFPGKALEGLPYTPPYPQALEKG
YFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLL
VEPFKGLYFREANRAILRDLRGRGLLFKEESYLHSYPHCWRCSTPLMYYA
TESWFIKNTLFKDELIRNNQEIHWVPPHIKEGRYGEWLKNLVDWALSRNR
YWGTPLPIWVCQACGKEEAIGSFQELKARATKPLPEPFDPHRPYVDQVEL
ACACGGTMRRVPYVIDVWYDSGAMPFASLHYPFEHEEVFRESFPADFIAE
GIDQTRGWFNSLHQLGVMLFGSIAFKNVICHGLILDEKGQKMSKSKGNVV
DPWDIIRKFGADALRWYIYVSAPPEADRRFGPNLVRETVRDYFLTLWNVY
SFFVTYANLDRPDLKNPPPPEKRPEMDRWLLARMQDLIQRVTEALEAYDP
TTSARALRDFVVEDLSQWYVRRNRRRFWKNEDALDREAAYATLYEALVLV
ATLAAPFTPFLAEVLWQNLVRSVRLEAKESVHLADWPEADPALADEALVA
QMRAVLKVVDLARAARAKSGV
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 chain1jzs Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1jzs Structural basis for the recognition of isoleucyl-adenylate and an antibiotic, mupirocin, by isoleucyl-tRNA synthetase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C181 C184 C389
Binding residue
(residue number reindexed from 1)		C181 C184 C389
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P46 H54 H57 D85 W518 Q554 W558 K591 K594
Catalytic site (residue number reindexed from 1) P46 H54 H57 D85 W518 Q554 W558 K591 K594
Enzyme Commision number 6.1.1.5: isoleucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0002161 aminoacyl-tRNA editing activity
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004822 isoleucine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006428 isoleucyl-tRNA aminoacylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1jzs, PDBe:1jzs, PDBj:1jzs
PDBsum1jzs
PubMed11584022
UniProtP56690|SYI_THET8 Isoleucine--tRNA ligase (Gene Name=ileS)

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