Structure of PDB 3v5c Chain A Binding Site BS01

Receptor Information

>3v5c Chain A (length=386) Species: 481743 (Paenibacillus sp. Y412MC10)

SLNITGIQSDWKVEKIEFAKLTGERARSAGANGRIGVHGKSCTVDIARIT
IDGQTGYGSSIHMTPEWAEDVIGRRLLDLFDDRGRLREAYRLQLEYPVLD
WLGQRQGKPVYDLVSGAHLETGASLVVPCYDTSLYFDDLHLADERAAVAL
MQEEAMQGYAKGQRHFKIKVGRGGRHMPLWEGTKRDIAIVRGISEVAGPA
GKIMIDANNAYNLNLTKEVLAALSDVNLYWLEAAFHEDEALYEDLKEWLG
QRGQNVLIADGEGLASPHLIEWATRGRVDVLQYDIIWPGFTHWMELGEKL
DAHGLRSAPHCYGNAYGIYASGHLSAAVRNFEFVEYDDITIEGMDVSGYR
IENGEIHVPATPGFGIVFDDELVTYLINRSGWSEGH

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: 3v5c Chain A Residue 393

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3v5c Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): E238 D261
• Binding residue (residue number reindexed from 1): E237 D260
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D207 E238 E263 D285 H311
• Catalytic site (residue number reindexed from 1): D206 E237 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:3v5c, PDBe:3v5c, PDBj:3v5c
• PDBsum: 3v5c
• UniProt: D3EID5