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Receptor Information

>5juc Chain A (length=278) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PLDTTWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPLVD
GLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEALWR
SLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRGGRV
TELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVEIGLL
IDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCGIPDS
GVGLTQFLYTRHTWPVSLVDRPPMKVMR

Ligand ID

XDX

InChI

InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1

InChIKey

RJDBNSZFZDWPFL-CECBSOHTSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC[CH]1O[CH](O[CH](CO[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 2.0.4	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O
CACTVS 3.385	OC[C@H]1O[C@H](O[C@H](CO[P](O)(O)=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4	C(C1C(C(C(C(O1)OC(COP(=O)(O)O)C(=O)O)O)O)O)O

Formula

C9 H17 O12 P

Name

(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(D-glucosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(glucosyloxy)-3-(phosphonooxy)propanoic acid

PDB chain

5juc Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5juc Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	Y165 G183 G184 R185 V186 T187 L209 S210 G211 R256 H258 N260 L266
Binding residue (residue number reindexed from 1)	Y145 G147 G148 R149 V150 T151 L173 S174 G175 R220 H222 N224 L230
Annotation score	5

Enzyme Commision number

2.4.1.266: glucosyl-3-phosphoglycerate synthase.

	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

PDB	RCSB:5juc, PDBe:5juc, PDBj:5juc
PDBsum	5juc
PubMed	28625787
UniProt	P9WMW9\|GPGS_MYCTU Glucosyl-3-phosphoglycerate synthase (Gene Name=gpgS)

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Structure of PDB 5juc Chain A Binding Site BS03