Structure of PDB 5zol Chain H Binding Site BS02

Receptor Information
>5zol Chain H (length=221) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMELYLDTSDVVAVKALSRIFPLAGVTTNPSTIAAGKKPLDVVLPQLHEA
MGGQGRLFATVMATTAEGMVNDALKLRSIIADIVVKVPVTAEGLAAIKML
KAEGIPTLGTAVYGAAQGLLSALAGAEYVAPYVNRIDAQGGSGIQTVTDL
HQLLKMHAPQAKVLAASFKTPRQALDCLLAGCESITLPLDVAQQMQSYPA
VDAAVAKFEQDWQGAFGRTSI
Ligand information
Ligand IDLW2
InChIInChI=1S/C8H10O3S/c1-5(9)7(10)8(11)6-3-2-4-12-6/h2-4,7-8,10-11H,1H3/t7-,8-/m1/s1
InChIKeyIGRSBLNSJJCYEW-HTQZYQBOSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC(C(C(c1sccc1)O)O)=O
CACTVS 3.385CC(=O)[C@@H](O)[C@H](O)c1sccc1
OpenEye OEToolkits 2.0.6CC(=O)C(C(c1cccs1)O)O
OpenEye OEToolkits 2.0.6CC(=O)[C@H]([C@@H](c1cccs1)O)O
CACTVS 3.385CC(=O)[CH](O)[CH](O)c1sccc1
FormulaC8 H10 O3 S
Name(3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one
ChEMBL
DrugBank
ZINCZINC000209871790
PDB chain5zol Chain H Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zol The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions.
Resolution2.172 Å
Binding residue
(original residue number in PDB)		Y131 R134 S166
Binding residue
(residue number reindexed from 1)		Y132 R135 S167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P170 R171
Catalytic site (residue number reindexed from 1) P171 R172
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zol, PDBe:5zol, PDBj:5zol
PDBsum5zol
PubMed32519699
UniProtP78055|FSAA_ECOLI Fructose-6-phosphate aldolase 1 (Gene Name=fsaA)

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