Structure of PDB 7wpt Chain A Binding Site BS02

Receptor Information
>7wpt Chain A (length=483) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKETFYITTPIYYPSGNLHIGHAYSTVAGDVIARYKRMQGYDVRYLTGT
DEHGQKIQEKAQKAGKTEIEYLDEMIAGIKQLWAKLEISNDDFIRTTEER
HKHVVEQVFERLLKQGDIYLGEYEGWELVKEESYFFNISKYTDRLLEFYD
QNPDFIQPPSRKNEMINNFIPGLADLAVSRTSFNWGVHVPSNPKHVVYVW
IDALVNYISALGYLSDDESLFNKYWPADIHLMAKEIVRFHSIIWPILLMA
LDLPLPKKVFAHGWILMKDGKMSKSKGNVVDPNILIDRYGLDATRYYLMR
ELPFGSDGVFTPEAFVERTNFDLANDLGNLVNRTISMVNKYFDGELPAYQ
GPLHELDEEMEAMALETVKSYTESMESLQFSVALSTVWKFISRTNKYIDE
TTPWVLAKDDSQKDMLGNVMAHLVENIRYAAVLLRPFLTHAPKEIFEQLN
INNPQFMEFSSLEQYGVLNESIMVTGQPKPIFP
Ligand information
Ligand IDXM0
InChIInChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
InChIKeyLMHHFZAXSANGGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(C2)N
CACTVS 3.385NC1Cc2ccccc2C1
FormulaC9 H11 N
NameINDAN-2-AMINE
ChEMBLCHEMBL1188176
DrugBank
ZINCZINC000001680937
PDB chain7wpt 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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PDB7wpt Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		Y14 D51 H53 G54 F220 V236 D239
Binding residue
(residue number reindexed from 1)		Y14 D51 H53 G54 F183 V199 D202
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:7wpt, PDBe:7wpt, PDBj:7wpt
PDBsum7wpt
PubMed35474479
UniProtQ5HII6|SYM_STAAC Methionine--tRNA ligase (Gene Name=metG)

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