Structure of PDB 7wpx Chain A Binding Site BS02

Receptor Information
>7wpx Chain A (length=519) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKETFYITTPIYYPSGNLHIGHAYSTVAGDVIARYKRMQGYDVRYLTGTD
EHGQKIQEKAQKAGKTEIEYLDEMIAGIKQLWAKLEISNDDFIRTTEERH
KHVVEQVFERLLKQGDIYLGEYEGWYSVPDETYYTESQLVDPQYENGKII
GGKSPDSGHEVELVKEESYFFNISKYTDRLLEFYDQNPDFIQPPSRKNEM
INNFIKPGLADLAVSRTSFNWGVHVPSNPKHVVYVWIDALVNYISALGYL
SDDESLFNKYWPADIHLMAKEIVRFHSIIWPILLMALDLPLPKKVFAHGW
ILMKDGKMSKSKGNVVDPNILIDRYGLDATRYYLMRELPFGSDGVFTPEA
FVERTNFDLANDLGNLVNRTISMVNKYFDGELPAYQGPLHELDEEMEAMA
LETVKSYTESMESLQFSVALSTVWKFISRTNKYIDETTPWVLAKDDSQKD
MLGNVMAHLVENIRYAAVLLRPFLTHAPKEIFEQLNINNPQFMEFSSLEQ
YGVLNESIMVTGQPKPIFP
Ligand information
Ligand ID2I3
InChIInChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H
InChIKeyWOZMDYAJHVHPMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1csc2n1cc(n2)Cl
CACTVS 3.385Clc1cn2ccsc2n1
FormulaC5 H3 Cl N2 S
Name6-chloranylimidazo[2,1-b][1,3]thiazole
ChEMBL
DrugBank
ZINCZINC000000124263
PDB chain7wpx Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wpx Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P11 I12 Y14 D51 W237 A240 Y244 I273
Binding residue
(residue number reindexed from 1)		P10 I11 Y13 D50 W236 A239 Y243 I272
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7wpx, PDBe:7wpx, PDBj:7wpx
PDBsum7wpx
PubMed35474479
UniProtQ5HII6|SYM_STAAC Methionine--tRNA ligase (Gene Name=metG)

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