Structure of PDB 3lbc Chain D Binding Site BS01

Receptor Information
>3lbc Chain D (length=296) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGE
AFVQSLSEREQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRYGF
DAVSAVTPFYYPFSFEEHCDHYRAIIDSADGLPMVVYNIPALSGVKLTLD
QINTLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDEIFASGLLA
GADGGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIKTG
VFRGLKTVLHYMDVVSVPLCRKPFGPVDEKYLPELKALAQQLMQER
Ligand information
Ligand IDLAI
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1
InChIKeyPYMYPHUHKUWMLA-VAYJURFESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]([C@@H]([C@H](C=O)O)O)O)O
ACDLabs 12.01OCC(C(C(C=O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.7.6C(C(C(C(C=O)O)O)O)O
CACTVS 3.385OC[C@H](O)[C@H](O)[C@@H](O)C=O
FormulaC5 H10 O5
NameL-arabinose
ChEMBL
DrugBankDB16873
ZINCZINC000002508230
PDB chain3lbc Chain B Residue 1551 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lbc Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D170 Y172
Binding residue
(residue number reindexed from 1)		D170 Y172
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S47 Y110 Y137 L142 K165 I206
Catalytic site (residue number reindexed from 1) S47 Y110 Y137 L142 K165 I206
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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Biological Process
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Cellular Component
External links
PDB RCSB:3lbc, PDBe:3lbc, PDBj:3lbc
PDBsum3lbc
PubMed
UniProtP0A6L4|NANA_ECOLI N-acetylneuraminate lyase (Gene Name=nanA)

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