Structure of PDB 5jsx Chain A Binding Site BS01

Receptor Information
>5jsx Chain A (length=282) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPLDTTWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPL
VDGLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEAL
WRSLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRGG
RVTELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVEIG
LLIDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCGIP
DSGVGLTQFLPDYTRHTWPVSLVDRPPMKVMR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5jsx Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jsx Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		D136 H258
Binding residue
(residue number reindexed from 1)		D118 H224
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.266: glucosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5jsx, PDBe:5jsx, PDBj:5jsx
PDBsum5jsx
PubMed28625787
UniProtA5U1Q6

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