Structure of PDB 1bir Chain A Binding Site BS01
Receptor Information
>1bir Chain A (length=104) Species:
5062
(Aspergillus oryzae) [
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ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDF
SVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNA
VECT
Ligand information
Ligand ID
2GP
InChI
InChI=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
InChIKey
WTIFIAZWCCBCGE-UUOKFMHZSA-N
SMILES
Software
SMILES
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O[P](O)(O)=O
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[P](O)(O)=O
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3C(C(C(O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N
ACDLabs 10.04
O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OP(=O)(O)O)CO
Formula
C10 H14 N5 O8 P
Name
GUANOSINE-2'-MONOPHOSPHATE
ChEMBL
DrugBank
DB01937
ZINC
ZINC000005224737
PDB chain
1bir Chain A Residue 106 [
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Receptor-Ligand Complex Structure
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PDB
1bir
A catalytic function for the structurally conserved residue Phe 100 of ribonuclease T1.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Y38 H40 Y42 N43 N44 Y45 E46 E58 R77 H92 N98 N99
Binding residue
(residue number reindexed from 1)
Y38 H40 Y42 N43 N44 Y45 E46 E58 R77 H92 N98 N99
Annotation score
4
Binding affinity
MOAD
: 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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bir
,
PDBe:1bir
,
PDBj:1bir
PDBsum
1bir
PubMed
8844843
UniProt
P00651
|RNT1_ASPOR Guanyl-specific ribonuclease T1 (Gene Name=rntA)
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