Structure of PDB 6swx Chain A Binding Site BS02

Receptor Information
>6swx Chain A (length=530) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKQKVFFATTPIYYVNASPHIGHVYSTLIVDVLGRYHRVKGEEVFVMTG
TDEHGQKVAEAAAKQGVSPMDFTTSVSSEFKQCFQEMNYDMNYFIRTTNP
THEKLVQDIWKKLAAKGDIYLGKYEGWYSVSDESFLTAQNVADGVDRDGK
PCKVSLESGHVVTWVEEENYMFRLSAFRERLLKYFHDHPNCIVPEFRRRE
VIKTVEKGLFDLSISRKRESVMNWSIPVPGDERHCIYVWLDALFNYYTGA
LTRVATDGTETLDEDHHALNRWPADVHVVGKDILKFHAIYWPAFLMSAEL
PLPERLVSHGWWTKDHKKISKSNAFDPVEKAKEFGIDALKYFLMRESNFQ
DDGDYSDKNMVARLNGELADTLGNLVSRCVAPKINVNGMWPEPAEYSESD
KTLIASLNNLAGTVDHYYCLPDIQHALIAIFDVLRSLNAYVTENAPWKLV
KMDTARLGTVLYVTMEGLRICTMFLQPVMPQKAKEIMDALGVPEAARVGM
ENYLFGIVKPGTKIAGLAEGQVVFQKVTLP
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain6swx Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6swx Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P216 I217 Y219 D256 W443 A446 Y450
Binding residue
(residue number reindexed from 1)		P12 I13 Y15 D52 W239 A242 Y246
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H225 H228 S333 D336 S359 S362 K522 K525
Catalytic site (residue number reindexed from 1) H21 H24 S129 D132 S155 S158 K318 K321
Enzyme Commision number 6.1.1.10: methionine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004825 methionine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6swx, PDBe:6swx, PDBj:6swx
PDBsum6swx
PubMed32275825
UniProtQ4QCD2

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