Structure of PDB 5zol Chain A Binding Site BS01

Receptor Information

>5zol Chain A (length=222) Species: 83333 (Escherichia coli K-12)

RSMELYLDTSDVVAVKALSRIFPLAGVTTNPSTIAAGKKPLDVVLPQLHE
AMGGQGRLFATVMATTAEGMVNDALKLRSIIADIVVKVPVTAEGLAAIKM
LKAEGIPTLGTAVYGAAQGLLSALAGAEYVAPYVNRIDAQGGSGIQTVTD
LHQLLKMHAPQAKVLAASFKTPRQALDCLLAGCESITLPLDVAQQMQSYP
AVDAAVAKFEQDWQGAFGRTSI

Ligand information

• Ligand ID: 4Y8
• InChI: InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
• InChIKey: XLSMFKSTNGKWQX-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C(C)CO
  CACTVS 3.385
  OpenEye OEToolkits 1.9.2: CC(=O)CO
• Formula: C3 H6 O2
• Name: 1-hydroxypropan-2-one
• ZINC: ZINC000000895664
• PDB chain: 5zol Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zol The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions.
• Resolution: 2.172 Å
• Binding residue (original residue number in PDB): D6 K85
• Binding residue (residue number reindexed from 1): D8 K87
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): P170 R171
• Catalytic site (residue number reindexed from 1): P172 R173
• Enzyme Commision number: 4.1.2.-

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0016832 aldehyde-lyase activity
• GO:0042802 identical protein binding
• GO:0097023 fructose 6-phosphate aldolase activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006000 fructose metabolic process
• GO:0042182 ketone catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5zol, PDBe:5zol, PDBj:5zol
• PDBsum: 5zol
• PubMed: 32519699
• UniProt: P78055|FSAA_ECOLI Fructose-6-phosphate aldolase 1 (Gene Name=fsaA)