Structure of PDB 4y6n Chain A Binding Site BS01

Receptor Information

>4y6n Chain A (length=282) Species: 83332 (Mycobacterium tuberculosis H37Rv)

ALPLDTTWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPL
VDGLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEAL
WRSLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRTG
GGRVTELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVE
IGLLIDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCG
IPDSGVGLTQFLYTRHTWPVSLVDRPPMKVMR

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4y6n Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4y6n A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
• Resolution: 2.348 Å
• Binding residue (original residue number in PDB): D136 H258 R259
• Binding residue (residue number reindexed from 1): D118 H226 R227
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.266: glucosyl-3-phosphoglycerate synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016757 glycosyltransferase activity
• GO:0016758 hexosyltransferase activity
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006011 UDP-glucose metabolic process

External links

• PDB: RCSB:4y6n, PDBe:4y6n, PDBj:4y6n
• PDBsum: 4y6n
• PubMed: 26136334
• UniProt: P9WMW9|GPGS_MYCTU Glucosyl-3-phosphoglycerate synthase (Gene Name=gpgS)