Structure of PDB 3zwd Chain B Binding Site BS01

Receptor Information

>3zwd Chain B (length=252) Species: 262724 (Thermus thermophilus HB27)

MIVFTDLDGTLLDERGELGPAREALERLRALGVPVVPVTAKTRKEVEALG
LEPPFIVENGGGLYLPRDWPVRAGRPKGGYRVVSLAWPYRKVRARLREAE
ALAGRPILGYGDLTAEAVARLTGLSREAARRAKAREYDETLVLCPEEVEA
VLEALEAVGLEWTHGGRFYHAAKGADKGRAVARLRALWPDPEEARFAVGL
GDSLNDLPLFRAVDLAVYVGRGDPPEGVLATPAPGPEGFRYAVERYLLPR
LS

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: 3zwd Chain B Residue 260

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zwd The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily.
• Resolution: 1.917 Å
• Binding residue (original residue number in PDB): D6 D8 G165 D202 S203
• Binding residue (residue number reindexed from 1): D6 D8 G165 D202 S203
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.70: mannosyl-3-phosphoglycerate phosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016791 phosphatase activity
• GO:0046872 metal ion binding
• GO:0050531 mannosyl-3-phosphoglycerate phosphatase activity

Biological Process

• GO:0051479 mannosylglycerate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3zwd, PDBe:3zwd, PDBj:3zwd
• PDBsum: 3zwd
• PubMed: 21961705
• UniProt: Q72K29