Structure of PDB 1rsn Chain B Binding Site BS01

Receptor Information
>1rsn Chain B (length=96) Species: 1894 (Kitasatospora aureofaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSGTVCLSALPPEATDTLNLIASDGPFPYSQDGVVFQNRESVLPTQSYG
YYHEYTVITPGARTRGTRRIICGEATQEDYYTGDHYATFSLIDQTC
Ligand information
Ligand IDSGP
InChIInChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1
InChIKeyQZEROIIFJLCOOE-FHIGPPGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[P](O)(=S)O[CH]34
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[P@](O)(=S)O[C@@H]34
ACDLabs 10.04S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C4C(C(O3)CO)OP(=S)(O4)O)N=C(NC2=O)N
FormulaC10 H12 N5 O6 P S
NameGUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE
ChEMBL
DrugBankDB03178
ZINC
PDB chain1rsn Chain B Residue 97 [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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PDB1rsn Complex of ribonuclease Sa with a cyclic nucleotide and a proposed model for the reaction intermediate.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V35 F37 Q38 N39 R40 E41 E54 R65 R69 H85 Y86
Binding residue
(residue number reindexed from 1)		V35 F37 Q38 N39 R40 E41 E54 R65 R69 H85 Y86
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E54 R65 R69 H85
Catalytic site (residue number reindexed from 1) E54 R65 R69 H85
Enzyme Commision number 4.6.1.24: ribonuclease T1.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004521 RNA endonuclease activity
GO:0004540 RNA nuclease activity
GO:0016829 lyase activity
GO:0046589 ribonuclease T1 activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1rsn, PDBe:1rsn, PDBj:1rsn
PDBsum1rsn
PubMed8396032
UniProtP05798|RNSA_KITAU Guanyl-specific ribonuclease Sa (Gene Name=rnaSA)

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