Structure of PDB 3my9 Chain A Binding Site BS01

Receptor Information

>3my9 Chain A (length=357) Species: 438753 (Azorhizobium caulinodans ORS 571)

SWDSVVERIRIFLVESPIKMGSVKRVLLEVTSADGIVGWGEAAPWTPEAA
FSALDIYLRPLILGAPIKRVRELMARMDKMLVGHGEAKAAVEMALLDILG
KATGLSVADLLGGRVRDRIPLSFSIADPDFDADLERMRAMVPAGHTVFKM
KTGVKPHAEELRILETMRGEFGERIDLRLDFNQALTPFGAMKILRDVDAF
RPTFIEQPVPRRHLDAMAGFAAALDTPILADESCFDAVDLMEVVRRQAAD
AISVKIMKCGGLMKAQSLMAIADTAGLPGYGGTLWEGGIALAAGTQLIAA
TPGISLGCEFYMPHHVLTEDVLEERIANSAGHVIVPDGPGLGISISEASL
RGNAKIL

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: 3my9 Chain A Residue 377

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3my9 Crystal structure of a muconate cycloisomerase from Azorhizobium caulinodans
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): A237 L240
• Binding residue (residue number reindexed from 1): A221 L224
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): P55 W56 S140 K165 K167 D196 N198 E222 D247 E248 S249 S269 K271 G298 T299 L300 C324 E325 F326
• Catalytic site (residue number reindexed from 1): P44 W45 S124 K149 K151 D180 N182 E206 D231 E232 S233 S253 K255 G282 T283 L284 C308 E309 F310

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009063 amino acid catabolic process

External links

• PDB: RCSB:3my9, PDBe:3my9, PDBj:3my9
• PDBsum: 3my9
• UniProt: A8HTB8