Structure of PDB 3urp Chain A Binding Site BS01

Receptor Information
>3urp Chain A (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 IDPGP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyXYVNHPYNSPGYLI-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[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)COP(=O)(O)O
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-3',5'-DIPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000013507796
PDB chain3urp 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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PDB3urp Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Resolution3.19 Å
Binding residue
(original residue number in PDB)		K41 Y42 N43 N44 Y45 E46 F100
Binding residue
(residue number reindexed from 1)		K40 Y41 N42 N43 Y44 E45 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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3urp, PDBe:3urp, PDBj:3urp
PDBsum3urp
PubMed22505257
UniProtP00651|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)

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