Structure of PDB 3ahw Chain A Binding Site BS01

Receptor Information
>3ahw Chain A (length=114) Species: 5271 (Ustilago sphaerogena) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CDIPQSTNCGGNVYSNDDINTAIQGALDDVANGDRPDNYPHQYYDEASED
ITLCCGSGPWSEFPLVYNGPYYSSRDNYVSPGPDRVIYQTNTGEFCATVT
HTGAASYDGFTQCS
Ligand information
Ligand ID2AM
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyQDFHPFSBQFLLSW-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO
FormulaC10 H14 N5 O7 P
NameADENOSINE-2'-MONOPHOSPHATE
ChEMBLCHEMBL57445
DrugBank
ZINCZINC000003861741
PDB chain3ahw Chain A Residue 121 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ahw Conformational variation revealed by the crystal structure of RNase U2A complexed with Ca ion and 2'-adenylic acid at 1.03 angstrom resolution.
Resolution1.03 Å
Binding residue
(original residue number in PDB)		Y39 H41 E62 G82 R85 H101 F110
Binding residue
(residue number reindexed from 1)		Y39 H41 E62 G82 R85 H101 F110
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y39 H41 E62 R85 H101 F110
Catalytic site (residue number reindexed from 1) Y39 H41 E62 R85 H101 F110
Enzyme Commision number 4.6.1.20: ribonuclease U2.
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:0033899 ribonuclease U2 activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ahw, PDBe:3ahw, PDBj:3ahw
PDBsum3ahw
PubMed20858208
UniProtP00654|RNU2_USTSP Ribonuclease U2 (Gene Name=RNU2)

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