Structure of PDB 7wq0 Chain A Binding Site BS02

Receptor Information
>7wq0 Chain A (length=518) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETFYITTPIYYPSGNLHIGHAYSTVAGDVIARYKRMQGYDVRYLTGTDE
HGQKIQEKAQKAGKTEIEYLDEMIAGIKQLWAKLEISNDDFIRTTEERHK
HVVEQVFERLLKQGDIYLGEYEGWYSVPDETYYTESQLVDPQYENGKIIG
GKSPDSGHEVELVKEESYFFNISKYTDRLLEFYDQNPDFIQPPSRKNEMI
NNFIKPGLADLAVSRTSFNWGVHVPSNPKHVVYVWIDALVNYISALGYLS
DDESLFNKYWPADIHLMAKEIVRFHSIIWPILLMALDLPLPKKVFAHGWI
LMKDGKMSKSKGNVVDPNILIDRYGLDATRYYLMRELPFGSDGVFTPEAF
VERTNFDLANDLGNLVNRTISMVNKYFDGELPAYQGPLHELDEEMEAMAL
ETVKSYTESMESLQFSVALSTVWKFISRTNKYIDETTPWVLAKDDSQKDM
LGNVMAHLVENIRYAAVLLRPFLTHAPKEIFEQLNINNPQFMEFSSLEQY
GVLNESIMVTGQPKPIFP
Ligand information
Ligand IDTPA
InChIInChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1
InChIKeyAELCINSCMGFISI-BDAKNGLRSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CC2[NH3+]
CACTVS 3.341[NH3+][CH]1C[CH]1c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]
ACDLabs 10.04c1cccc(c1)C2CC2[NH3+]
CACTVS 3.341[NH3+][C@H]1C[C@@H]1c2ccccc2
FormulaC9 H12 N
NameTRANS-2-PHENYLCYCLOPROPYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain7wq0 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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PDB7wq0 Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		P11 I12 W237 A240 N243 Y244
Binding residue
(residue number reindexed from 1)		P9 I10 W235 A238 N241 Y242
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7wq0, PDBe:7wq0, PDBj:7wq0
PDBsum7wq0
PubMed35474479
UniProtQ5HII6|SYM_STAAC Methionine--tRNA ligase (Gene Name=metG)

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