Structure of PDB 3n6h Chain A Binding Site BS01

Receptor Information

>3n6h Chain A (length=429) Species: 339671 (Actinobacillus succinogenes 130Z)

SVPVITDMKVIPVAGHDSMLMNVGGAHSPYFTRNIVILTDNSGHTGVGEA
PGGATIENALTEAIPHVVGRPISILNKIVNDMHNAWTFELRVNAVAALEA
ALLDLMGQFLGVPVAELLGPGKQRDEVTVLGYLFYVGDDKITDLPYQQPV
TGKHEWYDIRRKKAMDTQAVIELAAASKDRYGFKDFKLKGGVFEGSKEID
TVIELKKHFPDARITLDPNGCWSLDEAIQLCKGLNDVLTYAEDPCIGENG
YSGREIMAEFRRRTGIPTATNMIATNWREMCHAIMLQSVDIPLADPHFWT
LTGASRVAQLCNEWGLTWGCHSNNHFDISLAMFSHVGAAAPGNPTALDTH
WIWQEGDFYLTKNPLEIKDGKIKLNDKPGLGIELNMDNVLKAHELHKKLP
NGARNDAIPMQFYYPGWKFDRKRPAMVRE

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: 3n6h Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3n6h Crystal structure of Mandelate racemase/muconate lactonizing protein from Actinobacillus succinogenes 130Z complexed with magnesium/sulfate
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D236 E261 N290
• Binding residue (residue number reindexed from 1): D217 E242 N271
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K206 K208 D236 N238 E261 N290 D314 H340 N342
• Catalytic site (residue number reindexed from 1): K187 K189 D217 N219 E242 N271 D295 H321 N323

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0009063 amino acid catabolic process

External links

• PDB: RCSB:3n6h, PDBe:3n6h, PDBj:3n6h
• PDBsum: 3n6h
• UniProt: A6VQF6