Structure of PDB 2cg4 Chain B Binding Site BS01

Receptor Information
>2cg4 Chain B (length=149) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIIT
GARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTG
HYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain2cg4 Chain B Residue 1153 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cg4 Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y100 T101 T102 G103 Y105 S106
Binding residue
(residue number reindexed from 1)		Y97 T98 T99 G100 Y102 S103
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0043200 response to amino acid
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2cg4, PDBe:2cg4, PDBj:2cg4
PDBsum2cg4
PubMed16528101
UniProtP0ACI6|ASNC_ECOLI Regulatory protein AsnC (Gene Name=asnC)

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