Structure of PDB 5urb Chain A Binding Site BS02

Receptor Information
>5urb Chain A (length=546) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKILVTNALPYANGPIHMGHLLGYIQADIWVRAMRAMGHDVTYVCADDA
HGTAIMLRAEANGISPEEQIANVQKEHIRDFDGFGVHFDHYDSTHSDANK
ARSTDIYIKNREAGNIAVRPVTQLFDPEKGMFLSDRFIKGTCPKCKSEDQ
YGDSCEVCGTTYNATELLNPRSTLSGATPVEKSSDHYFFKLPNFAEYLQK
WTRDEGRLPLSIANKLDEWFEAGLADWDISRDAPYFGFEIPDAPNKYFYV
WVDAPIGYMSSFENYIKTKRPDLNFDDFWKKDSQNEVYHFIGKDIVYFHA
LFWPAMLEGANYRTPTGLFVNGFLTVNGQKMSKSRGTFIKAETYLQHLNP
EYLRYYFASKLSDKVEDSDLNLDDFVQKVNSDLVGKVVNIASRCAKFINS
SFNNTLSSTCAESDLVQSFIDAGDSIAAAYEAREFSTAIREIMALADRAN
QYIDEKKPWALAKQEGQEQQVLDVCSVGINLFRQLAVYLAPVLPTLAQQV
QDFLKLESFDFESRKQILVSHEIAQFQPLMQRVDPKAVAAMVDASK
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 chain5urb Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5urb Crystal Structure of Methionyl-tRNA synthetase (MetRS) from Acinetobacter baumannii with bound L-Methionine
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L10 Y12 D49 W251 P255 Y258
Binding residue
(residue number reindexed from 1)		L10 Y12 D49 W251 P255 Y258
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H18 H21 D126 K129 S172 S175 K330 K333
Catalytic site (residue number reindexed from 1) H18 H21 D126 K129 S172 S175 K330 K333
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:5urb, PDBe:5urb, PDBj:5urb
PDBsum5urb
PubMed
UniProtA0A0D5YKJ7

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