Structure of PDB 3mqt Chain U Binding Site BS01

Receptor Information

>3mqt Chain U (length=378) Species: 398579 (Shewanella pealeana ATCC 700345)

ANIVSVEFIPVNVASENTVIVKVTDENGVYGLGEADGPPECMKAFSEIEN
EHKWLNNIKEAVIGRDPLEFRANYNRMYDTTKWIGMRGLGLFAISGIDMA
LYDLAGKQLGVPAYKLMGGAQKAQLTPYFTLYPSVAADATLSEIVEAYKP
LIAKAKERGAKAVKVCIIPNDKVSDKEIVAYLRELREVIGWDMDMMVDCL
YRWTDWQKARWTFRQLEDIDLYFIEACLQHDDLIGHQKLAAAINTRLCGA
EMSTTRFEAQEWLEKTGISVVQSDYNRCGGVTELLRIMDICEHHNAQLMP
HNWKTGITAAAARHFGIVCHISEYVEYLHPDFWNGTLTQQLTLNEPKIID
GAIEVSDKPGLGIELNIEFVEQVTGHKF

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: 3mqt Chain U Residue 974

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mqt Crystal STRUCTURE OF A MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FROM SHEWANELLA PEALEANA
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D206 E233 E259
• Binding residue (residue number reindexed from 1): D198 E225 E251
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G45 E48 R95 T138 K162 K172 C174 N178 D206 C207 L208 I232 E233 R254 A258 E259 M260 S277 Q280 D282 H309 N310 E334 D339
• Catalytic site (residue number reindexed from 1): G37 E40 R87 T130 K154 K164 C166 N170 D198 C199 L200 I224 E225 R246 A250 E251 M252 S269 Q272 D274 H301 N302 E326 D331

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:3mqt, PDBe:3mqt, PDBj:3mqt
• PDBsum: 3mqt
• UniProt: A8H7M5