Structure of PDB 3sjn Chain A Binding Site BS01

Receptor Information

>3sjn Chain A (length=373) Species: 398579 (Shewanella pealeana ATCC 700345)

VLKITDIEVLHLRVPAMDADCEWGEDAVIVKVHTDKGIVGVGEADSSPLV
VQACIEAPQTNFYCNGLKRLLIGENALEIERLWNKMYWGSNYMGRRGAGI
HAISAIDIALWDIAGQFYGVPVHTLLGGKYRDKIRCYGTFIPADKPEDNV
AIVQGLKDQGFSSIKFGGGVMGDDPDTDYAIVKAVREAAGPEMEVQIDLA
SKWHTCGHSAMMAKRLEEFNLNWIEEPVLADSLISYEKLSRQVSQKIAGG
ESLTTRYEFQEFITKSNADIVQPDITRCGGITEMKKIYDIAQMNGTQLIP
HGFSTGILLHASVHFLAACEQGTLMEFSQSSSPLFTSLVKNQLQFDNGFV
AVSDAPGLGIELDEELIAKYRVN

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: 3sjn Chain A Residue 374

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sjn Crystal Structure of Enolase Spea_3858 from Shewanella Pealeana
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D198 E225 E251
• Binding residue (residue number reindexed from 1): D198 E225 E251
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S46 L49 T139 K165 G167 M171 D198 A200 E225 I247 G250 E251 S252 Q272 D274 H301 G302 F303 M325 E326 Q329 S331
• Catalytic site (residue number reindexed from 1): S46 L49 T139 K165 G167 M171 D198 A200 E225 I247 G250 E251 S252 Q272 D274 H301 G302 F303 M325 E326 Q329 S331

Gene Ontology

Molecular Function

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

Biological Process

• GO:0009063 amino acid catabolic process
• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3sjn, PDBe:3sjn, PDBj:3sjn
• PDBsum: 3sjn
• UniProt: A8H9D1