Structure of PDB 3wlx Chain B Binding Site BS01

Receptor Information
>3wlx Chain B (length=332) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIDLRSDTVTRPSRAMLEAMMAAPVGDDVYGDDPTVNALQDYAAELSGKE
AAIFLPTGTQANLVALLSHCERGEEYIVGQAAHNYLFEAGGAAVLGSIQP
QPIDAAADGTLPLDKVAMKIKPDDIHFARTKLLSLENTHNGKVLPREYLK
EAWEFTRERNLALHVDGARIFNAVVAYGCELKEITQYCDSFTICLSKGLG
TPVGSLLVGNRDYIKRAIRWRKMTGGGMRQSGILAAAGIYALKNNVARLQ
EDHDNAAWMAEQLREAGADVMRQDTNMLFVRVGEENAAALGEYMKARNVL
INASPIVRLVTHLDVSREQLAEVAAHWRAFLA
Ligand information
Ligand IDPLG
InChIInChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChIKeyFEVQWBMNLWUBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O
FormulaC10 H15 N2 O7 P
NameN-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
ChEMBL
DrugBankDB02824
ZINCZINC000002046831
PDB chain3wlx Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wlx Structure analysis of L-threonine aldolase from Escherichia coli unravels the low-specificity and thermostability
Resolution2.51 Å
Binding residue
(original residue number in PDB)		S6 G58 T59 H83 E136 D166 A168 R169 K197 R308
Binding residue
(residue number reindexed from 1)		S6 G58 T59 H83 E136 D166 A168 R169 K197 R308
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.48: low-specificity L-threonine aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008732 L-allo-threonine aldolase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0050179 phenylserine aldolase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006545 glycine biosynthetic process
GO:0006567 threonine catabolic process
Cellular Component
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:3wlx, PDBe:3wlx, PDBj:3wlx
PDBsum3wlx
PubMed
UniProtP75823|LTAE_ECOLI Low specificity L-threonine aldolase (Gene Name=ltaE)

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