Structure of PDB 1qu3 Chain A

Receptor sequence

>1qu3A (length=880) Species: 1280 (Staphylococcus aureus)

DYEKTLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFI
LHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPI
EQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDP
YITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEYH
DKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELKY
GQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEWVVAQHP
FLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQQYELPVISPIDD
KGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTK
KPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEW
VISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREAK
DLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPADM
YLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSLG
NVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDDYRKIRNT
LRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDY
LNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVD
MTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTF
MNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQ
LFIVSQVKVVDKLDDQATAYEHGDIVIEHA

3D structure

• PDB: 1qu3 Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
• Chain: A
• Resolution: 2.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S186 S189 D397 T400 W528 K595 K598
• Catalytic site (residue number reindexed from 1): S185 S188 D396 T399 W527 K594 K597
• Enzyme Commision number: 6.1.1.5: isoleucine--tRNA ligase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	rna	A	E4 M9 M16 R17 V315 D333 W436 R440 S556 D557 R560 F587 M589 G593 K594 K595 S624 T625 D626 D630 R632 E636 Q640 K647 N650 R653 F654 L702 Q706 Q709 N710 N713 S717 N718 K725 Y729 N809 R810 E813 R816 G822 K823	E3 M8 M15 R16 V314 D332 W435 R439 S555 D556 R559 F586 M588 G592 K593 K594 S623 T624 D625 D629 R631 E635 Q639 K646 N649 R652 F653 L701 Q705 Q708 N709 N712 S716 N717 K724 Y728 N808 R809 E812 R815 G821 K822
BS02	MRC	A	H64 G66 H67 E554 Q558 W562 H585 F587 V588 K595 S597 K598	H63 G65 H66 E553 Q557 W561 H584 F586 V587 K594 S596 K597	BindingDB: IC50=20000nM

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

External links

• PDB: RCSB:1qu3, PDBe:1qu3, PDBj:1qu3
• PDBsum: 1qu3
• PubMed: 10446055
• UniProt: P41972|SYI1_STAAU Isoleucine--tRNA ligase (Gene Name=ileS)