Structure of PDB 3f1y Chain A Binding Site BS01

Receptor Information

>3f1y Chain A (length=318) Species: 32630 (synthetic construct)

GPASAAEWFRQRSYDYGQFPPEDLARRKRELGLTVSAVLPSRNVADTVGG
IIDEIHALNERAPLIDQILVVDADSEDGTAGVAASHGAEVYSENELMSGY
GDAHGKGDAMWRALSVTRGDLVLYIDADTRDFRPQLAYGVLGPVLEVPGV
RFVKAAYRRPEEDGGGRVTELTAKPLFNLFYPELAGFVQPLAGEFVADRE
LFCSIPFLTGYAVETGIMIDVLKKVGLGAMAQVDLGERQNRHQHLRDLSR
MSYAVVRAVARRLRQEGRLQQLREPGLPESFFQLSDYLHAVATPEGLKLQ
EYVEELVERPPINEVLRV

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: 3f1y Chain A Residue 336

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3f1y Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Q299 D302
• Binding residue (residue number reindexed from 1): Q283 D286
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): P72 T231 Q248 E253 R254
• Catalytic site (residue number reindexed from 1): P63 T215 Q232 E237 R238
• Enzyme Commision number: 2.4.1.266: glucosyl-3-phosphoglycerate synthase.

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity
• GO:0046872 metal ion binding
• GO:0050504 mannosyl-3-phosphoglycerate synthase activity

External links

• PDB: RCSB:3f1y, PDBe:3f1y, PDBj:3f1y
• PDBsum: 3f1y
• PubMed: 21166895
• UniProt: B7SY86