Structure of PDB 3bqb Chain X Binding Site BS01

Receptor Information

>3bqb Chain X (length=291) Species: 273057 (Saccharolobus solfataricus P2)

MKLFRVVKRGYYISYAILDNSTIIRLDEDPIKALMRYSENKEVLGDRVTG
IDYQSLLKSFQINDIRITKPIDPPEVWGSGISYEMARERYSEENVAKILG
KTIYEKVYDAVRPEIFFKATPNRCVGHGEAIAVRSDSEWTLPEPELAVVL
DSNGKILGYTIMDDVSARDLEAENPLYLPQSKIYAGCCAFGPVIVTSDEI
KNPYSLDITLKIVREGRVFFEGSVNTNKMRRKIEEQIQYLIRDNPIPDGT
ILTTGTAIVPGRDKGLKDEDIVEITISNIGTLITPVKKRRK

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: 3bqb Chain X Residue 294

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3bqb Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): E145 D164
• Binding residue (residue number reindexed from 1): E145 D164
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.2.1.141: 2-dehydro-3-deoxy-D-arabinonate dehydratase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019571 D-arabinose catabolic process
• GO:0051289 protein homotetramerization

External links

• PDB: RCSB:3bqb, PDBe:3bqb, PDBj:3bqb
• PDBsum: 3bqb
• PubMed: 18448118
• UniProt: Q97UA0|KDAD_SACS2 2-dehydro-3-deoxy-D-arabinonate dehydratase (Gene Name=kdaD)