Structure of PDB 3qpe Chain D Binding Site BS02

Receptor Information

>3qpe Chain D (length=385) Species: 481743 (Paenibacillus sp. Y412MC10)

LNITGIQSDWKVEKIEFAKLTGERARSAGANGRIGVHGKSCTVDIARITI
DGQTGYGSSIHMTPEWAEDVIGRRLLDLFDDRGRLREAYRLQLEYPVLDW
LGQRQGKPVYDLVSGAHLETGASLVVPCYDTSLYFDDLHLADERAAVALM
QEEAMQGYAKGQRHFKIKVGRGGRHMPLWEGTKRDIAIVRGISEVAGPAG
KIMIDANNAYNLNLTKEVLAALSDVNLYWLEEAFHEDEALYEDLKEWLGQ
RGQNVLIADGEGLASPHLIEWATRGRVDVLQYDIIWPGFTHWMELGEKLD
AHGLRSAPHCYGNAYGIYASGHLSAAVRNFEFVEYDDITIEGMDVSGYRI
ENGEIHVPATPGFGIVFDDELVTYLINRSGWSEGH

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: 3qpe Chain D Residue 394

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qpe Crystal structure of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with D-Galacturonate and 5-keto-4-deoxy-D-Galacturonate
• Resolution: 1.796 Å
• Binding residue (original residue number in PDB): E234 E238 D261
• Binding residue (residue number reindexed from 1): E232 E236 D259
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D207 E233 E263 D285 H311
• Catalytic site (residue number reindexed from 1): D205 E231 E261 D283 H309

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