Structure of PDB 3lcw Chain A Binding Site BS01

Receptor Information
>3lcw Chain A (length=291) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGEAFV
QSLSERAQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRHGFDAV
SAVTPFYYPFSLEEHCDHYRAIIDSADGLPMVVYNIPALSGVKLTLGQIY
TLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDEIFASGLLAGAD
GGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIKTGIFR
GLKTVLHYMDVISVPLCRKPFGPVDEKCLPELKALAQQLMQ
Ligand information
Ligand ID3PY
InChIInChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
InChIKeyHHDDCCUIIUWNGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CO
CACTVS 3.341OCC(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)O
FormulaC3 H4 O4
Name3-HYDROXYPYRUVIC ACID
ChEMBLCHEMBL1230192
DrugBankDB02951
ZINCZINC000001532558
PDB chain3lcw Chain A Residue 640 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lcw Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Y43 G46 S47 T48 Y137 K165
Binding residue
(residue number reindexed from 1)		Y40 G43 S44 T45 Y134 K162
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S47 Y110 Y137 L142 K165 I206
Catalytic site (residue number reindexed from 1) S44 Y107 Y134 L139 K162 I203
Enzyme Commision number 4.1.3.3: N-acetylneuraminate lyase.
Gene Ontology
Molecular Function
GO:0008747 N-acetylneuraminate lyase activity
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0019262 N-acetylneuraminate catabolic process
GO:0044010 single-species biofilm formation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lcw, PDBe:3lcw, PDBj:3lcw
PDBsum3lcw
PubMed
UniProtP0A6L4|NANA_ECOLI N-acetylneuraminate lyase (Gene Name=nanA)

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