Structure of PDB 1qqt Chain A Binding Site BS01

Receptor Information
>1qqt Chain A (length=546) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFICADD
AHGTPIMLKAQQLGITPEQMIGEMSQEHQTDFAGFNISYDNYHSTHSEEN
RQLSELIYSRLKENGFIKNRTISQLYDPEKGMFLPDRFVKGTCPKCKSPD
QYGDNCEVCGATYSPTELIEPKSVVSGATPVMRDSEHFFFDLPSFSEMLQ
AWTRSGALQEQVANKMQEWFESGLQQWDISRDAPYFGFEIPNAPGKYFYV
WLDAPIGYMGSFKNLCDKRGDSVSFDEYWKKDSTAELYHFIGKDIVYFHS
LFWPAMLEGSNFRKPSNLFVHGYVTVNGAKMSKSRGTFIKASTWLNHFDA
DSLRYYYTAKLSSRIDDIDLNLEDFVQRVNADIVNKVVNLASRNAGFINK
RFDGVLASELADPALYKTFTDAAEVIGEAWESREFGKAVREIMALADLAN
RYVDEQAPWVVAKQAGRDADLQAICSMGINLFRVLMTYLKPVLPKLTERA
EAFLNTELTWDGIQQPLLGHKVNPFKALYNRIDMRQVEALVEASKE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1qqt Chain A Residue 552 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qqt Crystal structure of Escherichia coli methionyl-tRNA synthetase highlights species-specific features.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		C145 C148 C158 C161
Binding residue
(residue number reindexed from 1)		C143 C146 C156 C159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L13 H21 H24 D52 D129 K132 S175 S178 K332 K335
Catalytic site (residue number reindexed from 1) L11 H19 H22 D50 D127 K130 S173 S176 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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qqt, PDBe:1qqt, PDBj:1qqt
PDBsum1qqt
PubMed10600385
UniProtP00959|SYM_ECOLI Methionine--tRNA ligase (Gene Name=metG)

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