Structure of PDB 4uui Chain B Binding Site BS01

Receptor Information
>4uui Chain B (length=298) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHATNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGST
GEAFVQSLSEREQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRY
GFDAVSAVTPFYYPFSFEEHCDHYRAIIDSADGLPMVVFNIPALSGVKLT
LDQINTLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDNIFASGL
LAGADGGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIK
TGVFRGLKTVLHYMDVVSVPLCRKPFGPVDEKYLPELKALAQQLMQER
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4uui Chain B Residue 1299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uui A Case Study for Twinned Data Analysis: Multiple Crystal Forms of the Enzyme N-Acetyl-Neuraminic Lyase
Resolution1.79 Å
Binding residue
(original residue number in PDB)		D191 N192 V251
Binding residue
(residue number reindexed from 1)		D193 N194 V253
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S47 Y110 F137 L142 K165 I206
Catalytic site (residue number reindexed from 1) S49 Y112 F139 L144 K167 I208
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:4uui, PDBe:4uui, PDBj:4uui
PDBsum4uui
PubMed
UniProtP0A6L4|NANA_ECOLI N-acetylneuraminate lyase (Gene Name=nanA)

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