Structure of PDB 2dds Chain A Binding Site BS01

Receptor Information

>2dds Chain A (length=299) Species: 1396 (Bacillus cereus)

NDTLKVMTHNVYMLSTNLYPNWGQTERADLIGAADYIKNQDVVILNEVFD
NSASDRLLGNLKKEYPNQTAVLGRSSGSEWDKTLGNYSSSTPEDGGVAIV
SKWPIAEKIQYVFAKGCGPDNLSNKGFVYTKIKKNDRFVHVIGTHLQAED
SMCGKTSPASVRTNQLKEIQDFIKNKNIPNNEYVLIGGDMNVNKINAENN
NDSEYASMFKTLNASVPSYTGHTATWDATTNSIAKYNFPDSPAEYLDYII
ASKDHANPSYIENKVLQPKSPQWTVTSWFQKYTYNDYSDHYPVEATISM

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 2dds Chain A Residue 1121

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dds Structural Basis of the Sphingomyelin Phosphodiesterase Activity in Neutral Sphingomyelinase from Bacillus cereus.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): F55 N57 E99 D100
• Binding residue (residue number reindexed from 1): F49 N51 E93 D94
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.12: sphingomyelin phosphodiesterase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004620 phospholipase activity
• GO:0004767 sphingomyelin phosphodiesterase activity
• GO:0008081 phosphoric diester hydrolase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0031640 killing of cells of another organism

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2dds, PDBe:2dds, PDBj:2dds
• PDBsum: 2dds
• PubMed: 16595670
• UniProt: P11889|PHL2_BACCE Sphingomyelinase C (Gene Name=sph)