Structure of PDB 8uel Chain B Binding Site BS01

Receptor Information

>8uel Chain B (length=433) Species: 6689 (Penaeus vannamei)

SITKVFARTIFDSRGNPTVEVDLYTHKGLFRAAVPSGASTGVHEALEMRD
GDKSKYHGKSVFKAVNNVNSIIAPEIIKSGLKVTQQKECDDFMRKLDGTE
NKSRLGANAILGVSLAICKAGAAELGIPLYRHIANLANYSDVILPVPAFN
VINGGSHAGNKLAMQEFMILPTGASSFTEAMRMGSEVYHHLKAVIKGRFG
LDATAVGDEGGFAPNILNNKDALTLIQESIEKAGYTGKIEIGMDVAASEF
YKGENIYDLDFKTANNDGSQKITGDQLRDMYMEFCNEFPIVSIEDPFDQD
DWENWTKMTSATNIQIVGDDLTVTNPKRIATAVEKKACNCLLLKVNQIGS
VTESIDAHLLAKKNGWGTMVSHRSGETEDCFIADLVVGLCTGQIKTGAPC
RSERLAKYNQILRIEEELGSNAKFAGKKFRKPC

Ligand information

• Ligand ID: PEP
• InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)OP(=O)(O)O
  CACTVS 3.341: OC(=O)C(=C)O[P](O)(O)=O
  ACDLabs 10.04: O=C(O)C(\OP(=O)(O)O)=C
• Formula: C3 H5 O6 P
• Name: PHOSPHOENOLPYRUVATE
• ChEMBL: CHEMBL1235228
• DrugBank: DB01819
• ZINC: ZINC000003870145
• PDB chain: 8uel Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8uel Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
• Resolution: 2.49 Å
• Binding residue (original residue number in PDB): G37 S39 E166 D244 D319 K344 R373 S374 K395
• Binding residue (residue number reindexed from 1): G37 S39 E166 D244 D319 K344 R373 S374 K395
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 4.2.1.11: phosphopyruvate hydratase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004634 phosphopyruvate hydratase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process

Cellular Component

• GO:0000015 phosphopyruvate hydratase complex

External links

• PDB: RCSB:8uel, PDBe:8uel, PDBj:8uel
• PDBsum: 8uel
• PubMed: 38033172
• UniProt: O96656