Structure of PDB 3pfr Chain D Binding Site BS01

Receptor Information

>3pfr Chain D (length=426) Species: 67854 (Actinobacillus succinogenes)

SVPVITDMKVIPVAGHDSMLMNVGGAHSPYFTRNIVILTDNSGHTGVGEA
PGGATIENALTEAIPHVVGRPISILNKIVNDMHNTFELRVNAVAALEAAL
LDLMGQFLGVPVAELLGPGKQRDEVTVLGYLFYVGDDKITDLPYQQPVTG
KHEWYDIRRKKAMDTQAVIELAAASKDRYGFKDFKLKGGVFEGSKEIDTV
IELKKHFPDARITLDPNGCWSLDEAIQLCKGLNDVLTYAEDPCIGENGYS
GREIMAEFRRRTGIPTATNMIATNWREMCHAIMLQSVDIPLADPHFWTLT
GASRVAQLCNEWGLTWGCHSNNHFDISLAMFSHVGAAAPGNPTALDTHWI
WQEGDFYLTKNPLEIKDGKIKLNDKPGLGIELNMDNVLKAHELHKKLPNG
ARNDAIPMQFYYPGWKFDRKRPAMVR

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: 3pfr Chain D Residue 456

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pfr Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
• Resolution: 1.899 Å
• Binding residue (original residue number in PDB): D236 E261 N290
• Binding residue (residue number reindexed from 1): D215 E240 N269
• 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): K185 K187 D215 N217 E240 N269 D293 H319 N321

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0009063 amino acid catabolic process

External links

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