Structure of PDB 1pg2 Chain A Binding Site BS02

Receptor Information
>1pg2 Chain A (length=488) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFICADDA
HGTPIMLKAQQLGITPEQMIGEMSQEHQTDFAGFNISYDNYHSTHSEENR
QLSELIYSRLKENGFIKNRTISRDSEHFFFDLPSFSEMLQAWTRSGALQE
QVANKMQEWFESGLQQWDISRDAPYFGFEIPNAPGKYFYVWLDAPIGYMG
SFKNLCDKRGDSVSFDEYWKKDSTAELYHFIGKDIVYFHSLFWPAMLEGS
NFRKPSNLFVHGYVTVNGAKMSKSRGTFIKASTWLNHFDADSLRYYYTAK
LSSRIDDIDLNLEDFVQRVNADIVNKVVNLASRNAGFINKRFDGVLASEL
ADPQLYKTFTDAAEVIGEAWESREFGKAVREIMALADLANRYVDEQAPWV
VAKQEGRDADLQAICSMGINLFRVLMTYLKPVLPKLTERAEAFLNTELTW
DGIQQPLLGHKVNPFKALYNRIDMRQVEALVEASKEEV
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 chain1pg2 Chain A Residue 553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1pg2 Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		A12 L13 Y15 D52 W253 A256 P257 Y260
Binding residue
(residue number reindexed from 1)		A9 L10 Y12 D49 W191 A194 P195 Y198
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=4.96,Kd=11uM
Enzymatic activity
Catalytic site (original residue number in PDB) L13 H21 H24 D52 K332 K335
Catalytic site (residue number reindexed from 1) L10 H18 H21 D49 K270 K273
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:1pg2, PDBe:1pg2, PDBj:1pg2
PDBsum1pg2
PubMed12946347
UniProtP00959|SYM_ECOLI Methionine--tRNA ligase (Gene Name=metG)

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