Structure of PDB 2vk6 Chain A Binding Site BS03

Receptor Information

>2vk6 Chain A (length=448) Species: 1502 (Clostridium perfringens)

VEGAVKTEPVDLFHPGFLNSSNYRIPALFKTKEGTLIASIDARRHGGADA
PNNDIDTAVRRSEDGGKTWDEGQIIMDYPDKSSVIDTTLIQDDETGRIFL
LVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKD
SNKTEYTTNALGDLFKNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKT
WSEPQNINFQVKKDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNEKGK
QSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQV
VEMPNGQLKLFMRNLSGYLNIATSFDGGATWDETVEKDTNVLEPYCQLSV
INYSQKVDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDW
KYNKLVKPGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES

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: 2vk6 Chain A Residue 2694

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vk6 The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): D1515 W1573
• Binding residue (residue number reindexed from 1): D273 W331
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): A1290 D1291 E1539 Y1655
• Catalytic site (residue number reindexed from 1): A48 D49 E297 Y413
• Enzyme Commision number: 3.2.1.18: exo-alpha-sialidase.

Gene Ontology

Molecular Function

• GO:0004308 exo-alpha-sialidase activity

External links

• PDB: RCSB:2vk6, PDBe:2vk6, PDBj:2vk6
• PDBsum: 2vk6
• PubMed: 18218621
• UniProt: Q59310