Structure of PDB 1hl2 Chain A Binding Site BS01

Receptor Information
>1hl2 Chain A (length=295) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNLRGVMAALLTPFDQQQALDKASLRRLVQFNIQQGIDGLYVGGSTGEAF
VQSLSEREQVLEIVAEEAKGKIKLIAHVGCVSTAESQQLAASAKRYGFDA
VSAVTPFYYPFSFEEHCDHYRAIIDSADGLPMVVYNIPARSGVKLTLDQI
NTLVTLPGVGALKQTSGDLYQMEQIRREHPDLVLYNGYDEIFASGLLAGA
DGGIGSTYNIMGWRYQGIVKALKEGDIQTAQKLQTECNKVIDLLIKTGVF
RGLKTVLHYMDVVSVPLCRKPFGPVDEKYLPELKALAQQLMQERG
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 chain1hl2 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1hl2 Mimicking Natural Evolution in Vitro: An N-Acetylneuraminate Lyase Mutant with an Increased Dihydrodipicolinate Synthase Activity
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y43 G46 S47 T48 Y137 K165
Binding residue
(residue number reindexed from 1)		Y41 G44 S45 T46 Y135 K163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S47 Y110 Y137 R142 K165 I206
Catalytic site (residue number reindexed from 1) S45 Y108 Y135 R140 K163 I204
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:1hl2, PDBe:1hl2, PDBj:1hl2
PDBsum1hl2
PubMed12711733
UniProtP0A6L4|NANA_ECOLI N-acetylneuraminate lyase (Gene Name=nanA)

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