Structure of PDB 1i0x Chain D Binding Site BS03

Receptor Information
>1i0x Chain D (length=103) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFS
VSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFV
ECT
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 chain1i0x Chain D Residue 605 [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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PDB1i0x The contribution of metal ions to the conformational stability of ribonuclease T1: crystal versus solution.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y38 H40 Y42 N43 N44 Y45 E46 E58 N98 F100
Binding residue
(residue number reindexed from 1)		Y37 H39 Y41 N42 N43 Y44 E45 E57 N97 F99
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y38 H40 E58 D76 R77 T91 H92 F100
Catalytic site (residue number reindexed from 1) Y37 H39 E57 D75 R76 T90 H91 F99
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:1i0x, PDBe:1i0x, PDBj:1i0x
PDBsum1i0x
PubMed11453993
UniProtP00651|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)

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