Structure of PDB 3jw7 Chain A Binding Site BS03

Receptor Information

>3jw7 Chain A (length=353) Species: 226185 (Enterococcus faecalis V583)

MKIKQVHVRASKIKLKETFTIALGTIESADSAIVEIETEEGLVGYGEGGP
GIFITGETLAGTLETIELFGQAIIGLNPFNIEKIHEVMDKISAFAPAAKA
AIDIACYDLMGQKAQLPLYQLLGGYDNQVITDITLGIDEPNVMAQKAVEK
VKLGFDTLKIKVGTGIEADIARVKAIREAVGFDIKLRLDANQAWTPKDAV
KAIQALADYQIELVEQPVKRRDLEGLKYVTSQVNTTIMADESCFDAQDAL
ELVKKGTVDVINIKLMKCGGIHEALKINQICETAGIECMIGCMAEETTIG
ITAAAHLAAAQKNITRADLDATFGLETAPVTGGVSLEAKPLLELGEAAGL
GIS

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: 3jw7 Chain A Residue 358

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3jw7 Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D189 E215 D240
• Binding residue (residue number reindexed from 1): D189 E215 D240
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): F19 P50 F53 T134 K159 K161 D189 N191 E215 D240 E241 S242 N262 K264 G291 C292 M293 A317 D318 L319
• Catalytic site (residue number reindexed from 1): F19 P50 F53 T134 K159 K161 D189 N191 E215 D240 E241 S242 N262 K264 G291 C292 M293 A317 D318 L319
• Enzyme Commision number: 5.1.1.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016853 isomerase activity
• GO:0016854 racemase and epimerase activity
• GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
• GO:0046872 metal ion binding

Biological Process

• GO:0006518 peptide metabolic process
• GO:0009063 amino acid catabolic process

External links

• PDB: RCSB:3jw7, PDBe:3jw7, PDBj:3jw7
• PDBsum: 3jw7
• PubMed: 22392983
• UniProt: Q834W6|HYEP_ENTFA Hydrophobic dipeptide epimerase (Gene Name=EF_1511)