Structure of PDB 6ppw Chain A Binding Site BS01

Receptor Information

>6ppw Chain A (length=348) Species: 491 (Neisseria meningitidis serogroup B)

QNNNEFKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAEV
VKHQTHIVEDEMSDEAKQVIPGNADVSIYEIMERCALNEEDEIKLKEYVE
SKGMIFISTPFSRAAALRLQRMDIPAYKIGSGECNNYPLIKLVASFGKPI
ILSTGMNSIESIKKSVEIIREAGVPYALLHCTNIYPTPYEDVRLGGMNDL
SEAFPDAIIGLSDHTLDNYACLGAVALGGSILERHFTDRMDRPGPDIVCS
MNPDTFKELKQGAHALKLARGGKKDTIIAGEKPTKDFAFASVVADKDIKK
GELLSGDNLWVKRPGNGDFSVNEYETLFGKVAACNIRKGAQIKKTDIE

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: 6ppw Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ppw NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): H215 H236
• Binding residue (residue number reindexed from 1): H214 H235
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.56: N-acetylneuraminate synthase.

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0046872 metal ion binding
• GO:0047444 N-acylneuraminate-9-phosphate synthase activity
• GO:0050462 N-acetylneuraminate synthase activity

Biological Process

• GO:0016051 carbohydrate biosynthetic process
• GO:0070085 glycosylation

External links

• PDB: RCSB:6ppw, PDBe:6ppw, PDBj:6ppw
• PDBsum: 6ppw
• PubMed: 31549502
• UniProt: H2VFG5