Structure of PDB 3n4f Chain A Binding Site BS01

Receptor Information

>3n4f Chain A (length=390) Species: 481743 (Paenibacillus sp. Y412MC10)

SLNITGIQSDWKVEKIEFAKLTGERARSAGANGRIGVHGKSCTVDIARIT
IDGQTGYGSSIHMTPEWAEDVIGRRLLDLFDDRGRLREAYRLQLEYPVLD
WLGQRQGKPVYDLVSGAHLETGASLVVPCYDTSLYFDDLHLADERAAVAL
MQEEAMQGYAKGQRHFKIKVGRGGRHMPLWEGTKRDIAIVRGISEVAGPA
GKIMIDANNAYNLNLTKEVLAALSDVNLYWLEEAFHEDEALYEDLKEWLG
QRGQNVLIADGEGLASPHLIEWATRGRVDVLQYDIIWPGFTHWMELGEKL
DAHGLRSAPHCYGNAYGIYASGHLSAAVRNFEFVEYDDITIEGMDVSGYR
IENGEIHVPATPGFGIVFDDELVTYLINRSGWSEGHHHHH

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: 3n4f Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3n4f CRYSTAL STRUCTURE OF Mandelate racemase/muconate lactonizing protein from Geobacillus sp. Y412MC10
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): E234 E238 D261
• Binding residue (residue number reindexed from 1): E233 E237 D260
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D207 E233 E263 D285 H311
• Catalytic site (residue number reindexed from 1): D206 E232 E262 D284 H310

Gene Ontology

Molecular Function

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

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3n4f, PDBe:3n4f, PDBj:3n4f
• PDBsum: 3n4f
• UniProt: D3EID5