Structure of PDB 2aad Chain A Binding Site BS01

Receptor Information
>2aad Chain A (length=104) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPKKYNNYEGFDF
SVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNF
VECT
Ligand information
Ligand ID2GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyWTIFIAZWCCBCGE-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OP(=O)(O)O)CO
FormulaC10 H14 N5 O8 P
NameGUANOSINE-2'-MONOPHOSPHATE
ChEMBL
DrugBankDB01937
ZINCZINC000005224737
PDB chain2aad Chain A Residue 105 [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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PDB2aad Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y38 K40 Y42 N43 N44 Y45 E46 E58 H92 N98 F100
Binding residue
(residue number reindexed from 1)		Y38 K40 Y42 N43 N44 Y45 E46 E58 H92 N98 F100
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y38 K40 E58 D76 R77 T91 H92 F100
Catalytic site (residue number reindexed from 1) Y38 K40 E58 D76 R77 T91 H92 F100
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
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0001411 hyphal tip
GO:0030428 cell septum

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2aad, PDBe:2aad, PDBj:2aad
PDBsum2aad
PubMed1445870
UniProtP00651|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)

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