Structure of PDB 8bc3 Chain I Binding Site BS01

Receptor Information

>8bc3 Chain I (length=217) Species: 412384 (Priestia aryabhattai)

MKYFLDSAILEEIRYAYENWAIDGVTTNPRHIMNSGKPFLTVLDEFASEF
KGVENFPISVEINPHLDNAKDMVEEGTKIAKLSSNFVIKIPCTEPGLIAA
KEFEKQGISTNVTLVFSPSQALQPARIGAKFVSPFVGWKENSGDDTYIQD
IVNIYKNYNYNTEIIVAALRNGKQIVDAAKAGAHIVTCGFDVYKESFQHA
FTDYGLNKFRNAWDNTV

Ligand information

• Ligand ID: QC9
• InChI: InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1
• InChIKey: CASIPAVAJJTHFL-ZLUOBGJFSA-N
• SMILES:
  CACTVS 3.385: OCC[C@H](O)[C@H](O)[C@@H](O)C[S](O)(=O)=O
  CACTVS 3.385: OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
  OpenEye OEToolkits 3.1.0.0: C(CO)C(C(C(CS(=O)(=O)O)O)O)O
  OpenEye OEToolkits 3.1.0.0: C(CO)[C@@H]([C@@H]([C@H](CS(=O)(=O)O)O)O)O
• Formula: C6 H14 O7 S
• Name: (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid
• PDB chain: 8bc3 Chain I Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bc3 Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D6 N28 R30 K89 S133 F135 R171
• Binding residue (residue number reindexed from 1): D6 N28 R30 K89 S133 F135 R170
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.2.1.14: 6-deoxy-6-sulfo-D-fructose transaldolase.

Gene Ontology

Molecular Function

• GO:0004801 transaldolase activity
• GO:0016740 transferase activity
• GO:0016832 aldehyde-lyase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:8bc3, PDBe:8bc3, PDBj:8bc3
• PDBsum: 8bc3
• PubMed: 36805128
• UniProt: D5E1T2|SFTAL_PRIM1 6-deoxy-6-sulfo-D-fructose transaldolase (Gene Name=sqvA)