Structure of PDB 8wng Chain A Binding Site BS01

Receptor Information
>8wng Chain A (length=917) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKDTLNLNTTTFSMKGNLSVNEPKTYAKWQEQQAFKRMQARKDNHGDFTL
HDGPPYANGHLHLGHALNKILKDIVVKREYFKGKKIYYTPGWDCHGLPIE
QQILERLEKEKTSLENPTLFREKCRDHAKKFLEIQKNEFLQLGVLGDFED
PYKTMDFKFEASIYRALVEVAKKGLLKERHKPIYWSYACESALAEAEVEY
KMKKSPSIFVAFGLKKESLEKLKVKKASLVIWTTTPWTLYANVAIALKKD
AVYALTQKGYLVAKALHEKLAALGVVDNEITHEFNSNDLEYLVATNPLNQ
RDSLVALGEHVGLEDGTGAVHTAPGHGEEDYYLGLRYNLEVLMSVDEKGC
YDEGIIHNQLLDESYLGEHVFKAQKRIIEQLGDSLLLEQEIEHSYPHCWR
THKPVIYRATTQWFILMDEPFIQNDGSQKTLREVALDAIEKVEFVPSSGK
NRLKTMIENRPDWCLSRQRKWGVPLAFFIDKRTNKPCFESEVLEHVANLF
EKKGCDVWWEYSVKDLLPPSYQEDAKHYEKIMHILDVWFDSGSTFKAVLE
DYHGEKGQSPSDVILEGSDQHRGWFQSSLLIGCVLNNQAPFKKVITHGFI
VDEKGEKMSKSKGNVVSLDKLLKTHGSDVVRLWVAFNDYQNDLRVSQTFF
TQTEQHYKKFRNTLKFLLANFSDMDLKNLERPHNFSPLDHFMLETLETIS
AGVNSAFEEHDFVKGLNILMAFVTNELSGIYLDACKDSLYCDSKNNEKRQ
AIQMVLLATASKLCYFLAPILTHTIEEVLEHSQALRIFLQAKDVFDLKDI
SVSEKLHLKEFKKPENFEAVLALRSAFNEELDRLKKEGVIKNSLECAIEV
KEKALDENLVEELLMVSFVGIAKEKLSETPAFTLFKAPFYKCPRCWRFKS
ELENTPCKRCEQVLKER
Ligand information
Ligand IDILE
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC[C@H](C)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCC(C)C(C(=O)O)N
CACTVS 3.341CC[CH](C)[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(C)CC
CACTVS 3.341CC[C@H](C)[C@H](N)C(O)=O
FormulaC6 H13 N O2
NameISOLEUCINE
ChEMBLCHEMBL1233584
DrugBankDB00167
ZINCZINC000003581355
PDB chain8wng 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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PDB8wng Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		G56 P57 Y59 D96 S544 Q573 W577
Binding residue
(residue number reindexed from 1)		G53 P54 Y56 D93 S541 Q570 W574
Annotation score5
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wng, PDBe:8wng, PDBj:8wng
PDBsum8wng
PubMed38246751
UniProtP56456|SYI_HELPY Isoleucine--tRNA ligase (Gene Name=ileS)

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