Structure of PDB 2sar Chain A Binding Site BS01

Receptor Information
>2sar Chain A (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 ID3GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyZDPUTNZENXVHJC-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-3'-MONOPHOSPHATE
ChEMBL
DrugBankDB03315
ZINCZINC000004807333
PDB chain2sar Chain A Residue 98 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2sar Determination and restrained least-squares refinement of the structures of ribonuclease Sa and its complex with 3'-guanylic acid at 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q32 F37 Q38 N39 R40 E41 E54 R65 R69 H85 Y86
Binding residue
(residue number reindexed from 1)		Q32 F37 Q38 N39 R40 E41 E54 R65 R69 H85 Y86
Annotation score4
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:2sar, PDBe:2sar, PDBj:2sar
PDBsum2sar
PubMed1654932
UniProtP05798|RNSA_KITAU Guanyl-specific ribonuclease Sa (Gene Name=rnaSA)

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