Structure of PDB 4y7g Chain A Binding Site BS02

Receptor Information
>4y7g Chain A (length=277) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPLDTTWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPLV
DGLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEALW
RSLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRGRV
TELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVEIGLL
IDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCGIPDS
GVGLTQFLTRHTWPVSLVDRPPMKVMR
Ligand information
Ligand IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain4y7g Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y7g A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		G184 R185 H258
Binding residue
(residue number reindexed from 1)		G148 R149 H222
Annotation score2
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4y7g, PDBe:4y7g, PDBj:4y7g
PDBsum4y7g
PubMed26136334
UniProtP9WMW9|GPGS_MYCTU Glucosyl-3-phosphoglycerate synthase (Gene Name=gpgS)

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