Structure of PDB 3hxy Chain A Binding Site BS04

Receptor Information

>3hxy Chain A (length=441) Species: 83333 (Escherichia coli K-12)

SKSTAEIRQAFLDFFHSKGHQVVASSSLVPHNDPTLLFTNAGMNQFKDVF
LGLDKRNYSRATTSQRCVRAGGKHNDLENVGYTARHHTFFEMLGNFSFGD
YFKLDAILFAWLLLTSEKWFALPKERLWVTVYESDDEAYEIWEKEVGIPR
ERIIRIGDNKGAPYASDNFWQMGDTGPCGPCTEIFYDHGDHIWGGPPGSP
EEDGDRYIEIWNIVFMQFNRQADGTMEPLPKPSVDTGMGLERIAAVLQHV
NSNYDIDLFRTLIQAVAKVTGATDLSNKSLRVIADHIRSCAFLIADGVMP
SNENRGYVLRRIIRRAVRHGNMLGAKETFFYKLVGPLIDVMGSAGEDLKR
QQAQVEQVLKTEEEQFARTLERGLALLDEELAKLSGDTLDGETAFRLYDT
YGFPVDLTADVCRERNIKVDEAGFEAAMEEQRRRAREASGF

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3hxy Chain A Residue 445

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hxy Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
• Resolution: 2.27 Å
• Binding residue (original residue number in PDB): E183 E209
• Binding residue (residue number reindexed from 1): E183 E209
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.1.1.7: alanine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003676 nucleic acid binding
• GO:0004813 alanine-tRNA ligase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006419 alanyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3hxy, PDBe:3hxy, PDBj:3hxy
• PDBsum: 3hxy
• PubMed: 20010690
• UniProt: P00957|SYA_ECOLI Alanine--tRNA ligase (Gene Name=alaS)