Structure of PDB 2y6p Chain A Binding Site BS02

Receptor Information

>2y6p Chain A (length=231) Species: 63363 (Aquifex aeolicus)

RRAVIIPARLGSTRLKEKPLKNLLGKPLIRWVVEGLVKTGERVILATDSE
RVKEVVEDLCEVFLTPSDLPSGSDRVLYVVRDLDVDLIINYQGDEPFVYE
EDIKLIFRELEKGERVVTLARKDKEAYERPEDVKVVLDREGYALYFSRSP
IPYFRKNDTFYPLKHVGIYGFRKETLMEFGAMPPSKLEQIEGLEQLRLLE
NGIKIKVLITENYYHGVDTEEDLKIVEEKLK

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: 2y6p Chain A Residue 1234

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2y6p Evidence for a Two-Metal-Ion Mechanism in the Cytidyltransferase Kdsb, an Enzyme Involved in Lipopolysaccharide Biosynthesis.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D95 D219
• Binding residue (residue number reindexed from 1): D94 D218
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.38: 3-deoxy-manno-octulosonate cytidylyltransferase.

Gene Ontology

Molecular Function

• GO:0008690 3-deoxy-manno-octulosonate cytidylyltransferase activity
• GO:0016779 nucleotidyltransferase activity

Biological Process

• GO:0009103 lipopolysaccharide biosynthetic process
• GO:0033468 CMP-keto-3-deoxy-D-manno-octulosonic acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2y6p, PDBe:2y6p, PDBj:2y6p
• PDBsum: 2y6p
• PubMed: 21826242
• UniProt: O66914|KDSB_AQUAE 3-deoxy-manno-octulosonate cytidylyltransferase (Gene Name=kdsB)