Structure of PDB 7whs Chain F Binding Site BS02

Receptor Information

>7whs Chain F (length=366) Species: 5661 (Leishmania donovani)

MRAVILVGGFGTRLRPLTLTTPKPLVPFCNKPMIIHQIEALKAVGVTEVI
LAVAYRPEAMKEQMDEWSRKLGVSFVFSVEEEPLGTAGPLALARDILMQD
DKPFFVLNSDVTCTFPMQELLDFHKAHGGEGTIMVSQVTQWEKYGVVVYS
PQNYQIERFVEKPSRFLGDRINAGIYIFNKSILDRIPPRRASIEKEIFPA
MAAEGQLYAFNLEGFWMDVGQPKDYILGMTKFIPSLVHGNRETEAVEHQR
GGRFTVIGASLIDPSAKIGDGAVIGPYASIGANCVIGESCRIDNAAILEN
SKVGKGTMVSRSIVGWNNRIGSWCHIKDISVLGDDVEVKDGVILIGTKVL
PNKDVGEHRFEPGIIM

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: 7whs Chain F Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7whs Structural insights into selective inhibition of leishmanial GDP-mannose pyrophosphorylase.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): D118 D226
• Binding residue (residue number reindexed from 1): D110 D218
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.13: mannose-1-phosphate guanylyltransferase.

Gene Ontology

Molecular Function

• GO:0004475 mannose-1-phosphate guanylyltransferase (GTP) activity
• GO:0005525 GTP binding
• GO:0016740 transferase activity

Biological Process

• GO:0006486 protein glycosylation
• GO:0009058 biosynthetic process
• GO:0009298 GDP-mannose biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7whs, PDBe:7whs, PDBj:7whs
• PDBsum: 7whs
• PubMed: 36038534
• UniProt: E9BG32