Structure of PDB 5xet Chain C Binding Site BS03

Receptor Information
>5xet Chain C (length=505) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYYVTTAIAYPNAAPHVGHAYEYIATDAIARFKRLDRYDVRFLTGTDEH
GLKVAQAAAAAGVPTAALARRNSDVFQRMQEALNISFDRFIRTTDADHHE
ASKELWRRMSAAGDIYLDNYSGWYSVRDERFFVESETQLVDGTRLTVETG
TPVTWTEEQTYFFRLSAYTDKLLAHYHANPDFIAPETRRNEVISFVSGGL
DDLSISRTSFDWGVQVPEHPDHVMYVWVDALTNYLTGAGFPDTDSELFRR
YWPADLHMIGKDIIRFHAVYWPAFLMSAGIELPRRIFAHGFLHNRKMSKS
VGNIVDPVALAEALGVDQVRYFLLREVPFGQDGSYSDEAIVTRINTDLAN
ELGNLAQRSLSMVAKNLDGRVPNPGEFADADAALLATADGLLERVRGHFD
AQAMHLALEAIWLMLGDANKYFSVQQPWVLRKSESEADQARFRTTLYVTC
EVVRIAALLIQPVMPESAGKILDLLGQAPNQRSFAAVGVRLTPGTALPPP
TGVFP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5xet Chain C Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xet Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		Y23 V330 F332
Binding residue
(residue number reindexed from 1)		Y22 V327 F329
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I10 D49 W228 I264 K299 K302
Catalytic site (residue number reindexed from 1) I9 D48 W227 I263 K296 K299
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
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xet, PDBe:5xet, PDBj:5xet
PDBsum5xet
PubMed30002848
UniProtA5U150

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