Structure of PDB 3ops Chain D Binding Site BS01

Receptor Information

>3ops Chain D (length=376) Species: 481743 (Paenibacillus sp. Y412MC10)

DWKVEKIEFAKLTGERARSAGANGRIGVHGKSCTVDIARITIDGQTGYGS
SIHMTPEWAEDVIGRRLLDLFDDRGRLREAYRLQLEYPVLDWLGQRQGKP
VYDLVSGAHLETGASLVVPCYDTSLYFDDLHLADERAAVALMQEEAMQGY
AKGQRHFKIKVGRGGRHMPLWEGTKRDIAIVRGISEVAGPAGKIMIDANN
AYNLNLTKEVLAALSDVNLYWLEEAFHEDEALYEDLKEWLGQRGQNVLIA
DGEGLASPHLIEWATRGRVDVLQYDIIWPGFTHWMELGEKLDAHGLRSAP
HCYGNAYGIYASGHLSAAVRNFEFVEYDDITIEGMDVSGYRIENGEIHVP
ATPGFGIVFDDELVTYLINRSGWSEG

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: 3ops Chain D Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ops Crystal structure ofmandelate racemase/muconate lactonizing protein FROM GEOBACILLUS SP. Y412MC10 complexed with magnesium/tartrate
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): E234 E238 D261
• Binding residue (residue number reindexed from 1): E224 E228 D251
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D207 E233 E263 D285 H311
• Catalytic site (residue number reindexed from 1): D197 E223 E253 D275 H301

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:3ops, PDBe:3ops, PDBj:3ops
• PDBsum: 3ops
• UniProt: D3EID5