Structure of PDB 6wq6 Chain A Binding Site BS02

Receptor Information
>6wq6 Chain A (length=547) Species: 190486 (Xanthomonas citri pv. citri str. 306) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRTALVTTALPYANGPLHLGHLVGYIQADIWVRARRLRGDKTWFVCADD
THGTPIMLAAEKAGVTPEAFIANVQASHERDFAAFGVTFDHYDSTNSPVN
RELTEAFYAKLEAAGHISRRSVAQFYDTAKGMFLPDRYIKGICPNCGSPD
QYGDNCEVCGATYAPTELKEPKSVISGATPELRDSEHFFFEVGHFDGFLR
EWLAGDVALPGVKAKLKEWLDAEGGLRAWDISRDAPYFGFQIPGQPGKYF
YVWLDAPIGYLCSFKTLCAQMGENFEAHLVAGTQTELHHFIGKDIVNFHG
LFWPAVLHGTGHRAPTRLHVNGYLTVDGAKMSKSRGTFVMARTFLDVGLE
PEALRYYFAAKSSGGVDDLDLNLGDFIARVNADLVGKFVNLASRCAGFIG
KRFDGKLADALPDAAQYDRFVAALAPIREAYERNDAASAIRQTMALADEA
NKYIDDTKPWVIAKQDGADAQLQSVCTQGLNLFRILVAALKPILPRTCAE
AEAFLSAPMTSWEDVIGPLTAHTIQPYTALFTRIDPKLIDAMTDASK
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 chain6wq6 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wq6 Molecular basis for diaryldiamine selectivity and competition with tRNA in a type 2 methionyl-tRNA synthetase from a Gram-negative bacterium.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L11 Y13 D50 W253 A256 P257 Y260
Binding residue
(residue number reindexed from 1)		L11 Y13 D50 W253 A256 P257 Y260
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.10: methionine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004825 methionine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation
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:6wq6, PDBe:6wq6, PDBj:6wq6
PDBsum6wq6
PubMed33857480
UniProtQ8PMP0|SYM_XANAC Methionine--tRNA ligase (Gene Name=metG)

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