Structure of PDB 4lcn Chain A Binding Site BS02

Receptor Information
>4lcn Chain A (length=189) Species: 228410 (Nitrosomonas europaea ATCC 19718) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNDALHIGLPPFLVQANNEPRVLAAPEARMGYVLELVRANIAADGGPFAA
AVFERDSGLLIAAGTNRVVPGRCSAAHAEILALSLAQAKLDTHDLSADGL
PACELVTSAEPCVMCFGAVIWSGVRSLVCAARSDDVEAIGFDEGPRPENW
MGGLEARGITVTTGLLRDAACALLREYNACNGVIYNARC
Ligand information
Ligand IDGNG
InChIInChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKeyYKBGVTZYEHREMT-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N
ACDLabs 10.04O=C3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO
CACTVS 3.341NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N
CACTVS 3.341NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
FormulaC10 H13 N5 O4
Name2'-DEOXY-GUANOSINE
ChEMBLCHEMBL68908
DrugBank
ZINCZINC000000404256
PDB chain4lcn Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lcn Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F48 N66 H77 E79 F141 D142
Binding residue
(residue number reindexed from 1)		F48 N66 H77 E79 F141 D142
Annotation score3
Binding affinityMOAD: Ka=91000M^-1
Enzymatic activity
Enzyme Commision number 3.5.-.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047974 guanosine deaminase activity
Biological Process
GO:0006152 purine nucleoside catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4lcn, PDBe:4lcn, PDBj:4lcn
PDBsum4lcn
PubMed24083949
UniProtQ82Y41

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