Structure of PDB 4xeo Chain A Binding Site BS02

Receptor Information

>4xeo Chain A (length=384) Species: 9606 (Homo sapiens)

TLTASEIRQRFIDFFKRNEHTYVHSSATIPLDDPTLLFANAGMNQFKPIF
LNTIDPSHPMAKLSRAANTQKCIRAGGKHNLDDVGKDVYHHTFFEMLGSW
SFGDYFKELACKMALELLTQEFGIPIERLYVTYFGGDEAAGLEADLECKQ
IWQNLGLDDTKILPGNMKDNFWEMGDTGPCGPCSEIHYDRIGGRDAAHLV
NQDDPNVLEIWNLVFIQYNREADGILKPLPKKSIDTGMGLERLVSVLQNK
MSNYDTDLFVPYFEAIQKGTGARPYTGKVGAEDADGIDMAYRVLADHART
ITVALADGGRPDNTGRGYVLRRILHRAVRYAHEKLNASRGFFATLVDVVV
QSLGDAFPELKKDPDMVKDIINEEEVQFLKTLSR

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: 4xeo Chain A Residue 506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xeo Crystal structure of human AlaRS catalytic domain with R329H mutation
• Resolution: 1.38 Å
• Binding residue (original residue number in PDB): E189 E213
• Binding residue (residue number reindexed from 1): E185 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:4xeo, PDBe:4xeo, PDBj:4xeo
• PDBsum: 4xeo
• UniProt: P49588|SYAC_HUMAN Alanine--tRNA ligase, cytoplasmic (Gene Name=AARS1)