Structure of PDB 1ffy Chain A Binding Site BS02

Receptor Information
>1ffy Chain A (length=917) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYEKTLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETF
ILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLP
IEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFND
PYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEY
HDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELK
YGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEWVVAQH
PFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQQYELPVISPID
DKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRT
KKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGE
WVISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREA
KDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPAD
MYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSL
GNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDDYRKIRN
TLRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFD
YLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILV
DMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRT
FMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALH
QLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVD
ELTHLCPRCQQVVKSLV
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 chain1ffy Chain A Residue 1001 [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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PDB1ffy Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C886 C889 C906 C909
Binding residue
(residue number reindexed from 1)		C886 C889 C906 C909
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S186 S189 D397 T400 W528 K595 K598
Catalytic site (residue number reindexed from 1) S186 S189 D397 T400 W528 K595 K598
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
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006428 isoleucyl-tRNA aminoacylation
GO:0106074 aminoacyl-tRNA metabolism involved in translational fidelity
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ffy, PDBe:1ffy, PDBj:1ffy
PDBsum1ffy
PubMed10446055
UniProtP41972|SYI1_STAAU Isoleucine--tRNA ligase (Gene Name=ileS)

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