Structure of PDB 3wqe Chain A Binding Site BS02

Receptor Information

>3wqe Chain A (length=379) Species: 518882 (Delftia sp. HT23)

QDTLLTLDTPAAVIDLDRMQRNIARMQQRMDAQGVRLRPHVKTSKSVPVA
AAQRAAGASGITVSTLKEAEQFFAAGTTDILYAVSMAPHRLPQALQLRRR
GCDLKLIVDSVAAAQAIAAFGREQGEAFEVWIEIDTDGHRSGVGADDTPL
LLAIGRTLHDGGMRLGGVLTHAGSSYELDTPEALQALAERERAGCVQAAE
ALRAAGLPCPVVSVGSTPTALAASRLDGVTEVRAGVYVFFDLVMRNIGVC
AAEDVALSVLATVIGHQADKGWAIVDAGWMAMSRDRGTARQKQDFGYGQV
CDLQGRVMPGFVLTGANQEHGILARADGAAEADIATRFPLGTRLRILPNH
ACATGAQFPAYQALAADGSVQTWERLHGW

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: 3wqe Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wqe Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): H351 C353
• Binding residue (residue number reindexed from 1): H350 C352
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.3.1.27: threo-3-hydroxy-D-aspartate ammonia-lyase.

Gene Ontology

Molecular Function

• GO:0008721 D-serine ammonia-lyase activity
• GO:0016829 lyase activity
• GO:0016841 ammonia-lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0036088 D-serine catabolic process

External links

• PDB: RCSB:3wqe, PDBe:3wqe, PDBj:3wqe
• PDBsum: 3wqe
• PubMed: 25715785
• UniProt: B2DFG5|DTHAD_DELSH D-threo-3-hydroxyaspartate dehydratase (Gene Name=dthadh)