Structure of PDB 4y7f Chain A Binding Site BS02

Receptor Information

>4y7f Chain A (length=279) Species: 83332 (Mycobacterium tuberculosis H37Rv)

PLDTTWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPLVD
GLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEALWR
SLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRGGRV
TELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVEIGLL
IDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCGIPDS
GVGLTQFLYTRHTWPVSLVDRPPMKVMRP

Ligand information

• Ligand ID: 48X
• InChI: InChI=1S/C3H7O6P/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
• InChIKey: QMMAAPSPIPKBBV-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: OC(=O)CCO[P](O)(O)=O
  OpenEye OEToolkits 1.9.2: C(COP(=O)(O)O)C(=O)O
  ACDLabs 12.01: O=P(OCCC(=O)O)(O)O
• Formula: C3 H7 O6 P
• Name: 3-(phosphonooxy)propanoic acid
• PDB chain: 4y7f Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4y7f A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
• Resolution: 3.231 Å
• Binding residue (original residue number in PDB): G184 R185 T187 H258 N260
• Binding residue (residue number reindexed from 1): G148 R149 T151 H222 N224
• Annotation score: 2

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:4y7f, PDBe:4y7f, PDBj:4y7f
• PDBsum: 4y7f
• PubMed: 26136334
• UniProt: P9WMW9|GPGS_MYCTU Glucosyl-3-phosphoglycerate synthase (Gene Name=gpgS)