Structure of PDB 3sn1 Chain A Binding Site BS01

Receptor Information

>3sn1 Chain A (length=396) Species: 266265 (Paraburkholderia xenovorans LB400)

SLKVVSVDTLCCDAGWRNYHFVKLTTDEGIVGWSEFDEGFGSPGVTAVIE
QLGKRLVGASVMEHERFFAEAYCLTRPATGGVVSEGIGAIENALLDAKAK
TLNVPCYELLGGKLRDRVPVYWSHCPTWRINHPKFFGPPVTDLDGVKRTA
EEARERQFRAIKTNIFIHDDGPLHAWRPGFAVPFQPALNVDRKVLRNLRA
HLEALRDGAGPDVEILLDLNFNAKPEGYLKILRELADFDLFWVEIDSYSP
QGLAYVRNHSPHPISSCETLFGIREFKPFFDANAVDVAIVDTIWNGVWQS
MKIAAFADAHDINVAPHNFYGHLCTMINANFAAAVPNLRIMETDIDRLAW
EDELFTHAPEYQNGELIIPDRPGWGTDPVEEAILAHPPKVMGGLLQ

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: 3sn1 Chain A Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sn1 Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D217 E243 E267
• Binding residue (residue number reindexed from 1): D218 E244 E268
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K161 N163 D217 N219 E243 C266 E267 I288 D290 H316 E341 D343
• Catalytic site (residue number reindexed from 1): K162 N164 D218 N220 E244 C267 E268 I289 D291 H317 E342 D344

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3sn1, PDBe:3sn1, PDBj:3sn1
• PDBsum: 3sn1
• UniProt: Q13PB7