Structure of PDB 5fbg Chain B Binding Site BS05

Receptor Information
>5fbg Chain B (length=265) Species: 510516 (Aspergillus oryzae RIB40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWANTYKYT
DAGEFSKPYHFIDAQDNPPQSCGVDYDRDCGSAGCSISAIQNYTNILLES
PNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHI
WDTNMPEEAAGGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDP
VSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKSQPVFEELIAK
AGYRLAAWLDLIASQ
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 chain5fbg Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fbg Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		F81 D83 H145 A151 N154 H168
Binding residue
(residue number reindexed from 1)		F61 D63 H125 A131 N134 H148
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W21 H26 N65 K68 H80 H135 D139 H145 H168 D172
Catalytic site (residue number reindexed from 1) W1 H6 N45 K48 H60 H115 D119 H125 H148 D152
Enzyme Commision number 3.1.30.1: Aspergillus nuclease S1.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004518 nuclease activity
GO:0004519 endonuclease activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0006308 DNA catabolic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5fbg, PDBe:5fbg, PDBj:5fbg
PDBsum5fbg
PubMed28036383
UniProtP24021|NUS1_ASPOR Nuclease S1 (Gene Name=nucS)

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