Structure of PDB 2ics Chain A Binding Site BS03

Receptor Information
>2ics Chain A (length=368) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYDLLIKNGQTVNGMPVEIAIKEKKIAAVAATISGSAKETIHLEPGTYVS
AGWIDDHVHCFEKMALYYDYPDEIGVKKGVTTVIDAGTTGAENIHEFYDL
AQQAKTNVFGLVNISKWGIVAQDELADLSKVQASLVKKAIQELPDFVVGI
KARMSRTVIGDNGITPLELAKQIQQENQEIPLMVHIGSAPPHLDEILALM
EKGDVLTHCFNGKENGILDQATDKIKDFAWQAYNKGVVFDIGHGTDSFNF
HVAETALREGMKAASISTDIYIRNRENGPVYDLATTMEKLRVVGYDWPEI
IEKVTKAPAENFHLTQKGTLEIGKDADLTIFTIQAEEKTLTDSNGLTRVA
KEQIRPIKTIIGGQIYDN
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain2ics Chain A Residue 1114 [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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PDB2ics Crystal structure of an adenine deaminase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y70 Q125 R156 H188
Binding residue
(residue number reindexed from 1)		Y67 Q122 R153 H185
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.1.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0019213 deacetylase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2ics, PDBe:2ics, PDBj:2ics
PDBsum2ics
PubMed
UniProtQ837K0|DEACT_ENTFA Deacetylase EF_0837 (Gene Name=EF_0837)

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