Structure of PDB 1bir Chain B Binding Site BS01

Receptor Information
>1bir Chain B (length=104) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDF
SVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNA
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 chain1bir Chain B Residue 107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bir A catalytic function for the structurally conserved residue Phe 100 of ribonuclease T1.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y38 H40 Y42 N43 N44 Y45 E46 E58 R77 H92 N98
Binding residue
(residue number reindexed from 1)		Y38 H40 Y42 N43 N44 Y45 E46 E58 R77 H92 N98
Annotation score4
Binding affinityMOAD: Kd=138uM
Enzymatic activity
Catalytic site (original residue number in PDB) Y38 H40 E58 D76 R77 H92 A100
Catalytic site (residue number reindexed from 1) Y38 H40 E58 D76 R77 H92 A100
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
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Cellular Component
External links
PDB RCSB:1bir, PDBe:1bir, PDBj:1bir
PDBsum1bir
PubMed8844843
UniProtP00651|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)

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