Structure of PDB 3c4v Chain A Binding Site BS01

Receptor Information

>3c4v Chain A (length=393) Species: 1718 (Corynebacterium glutamicum)

MRVAMISMHTSPLQQPGTGDSGGMNVYILSTATELAKQGIEVDIYTRATR
PSQGEIVRVAENLRVINIAAGPYEGLSKEELPTQLAAFTGGMLSFTRREK
VTYDLIHSHYWLSGQVGWLLRDLWRIPLIHTAHTLAAVDTPESEARRICE
QQLVDNADVLAVNTQEEMQDLMHHYDADPDRISVVSPGADVELYSPGNDR
ATERSRRELGIPLHTKVVAFVGRLQPFKGPQVLIKAVAALFDRDPDRNLR
VIICGGPTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVPSFNE
SFGLVAMEAQASGTPVIAARVGGLPIAVAEGETGLLVDGHSPHAWADALA
TLLDDDETRIRMGEDAVEHARTFSWAATAAQLSSLYNDAIANE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3c4v Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3c4v Structural and Enzymatic Analysis of MshA from Corynebacterium glutamicum: SUBSTRATE-ASSISTED CATALYSIS
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): R304 A306 T330
• Binding residue (residue number reindexed from 1): R288 A290 T314
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.250: D-inositol-3-phosphate glycosyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008375 acetylglucosaminyltransferase activity
• GO:0016757 glycosyltransferase activity
• GO:0016758 hexosyltransferase activity
• GO:0046872 metal ion binding
• GO:0102710 D-inositol-3-phosphate glycosyltransferase activity

Biological Process

• GO:0010125 mycothiol biosynthetic process

External links

• PDB: RCSB:3c4v, PDBe:3c4v, PDBj:3c4v
• PDBsum: 3c4v
• PubMed: 18390549
• UniProt: Q8NTA6|MSHA_CORGL D-inositol 3-phosphate glycosyltransferase (Gene Name=mshA)