Structure of PDB 1wbu Chain A Binding Site BS01

Receptor Information
>1wbu Chain A (length=124) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHES
LADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTT
QANKHIIVACEGNPYVPVHFDASV
Ligand information
Ligand IDWBU
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKeyBISHACNKZIBDFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)N
CACTVS 3.341NC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(N)=CNC(=O)N1
FormulaC4 H5 N3 O2
Name5-AMINO-1H-PYRIMIDINE-2,4-DIONE
ChEMBLCHEMBL1236704
DrugBankDB03792
ZINCZINC000001236370
PDB chain1wbu Chain A Residue 1125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wbu Fragment-Based Lead Discovery Using X-Ray Crystallography
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H12 N44 T45 F120
Binding residue
(residue number reindexed from 1)		H12 N44 T45 F120
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K41 H119 F120 D121
Catalytic site (residue number reindexed from 1) H12 K41 H119 F120 D121
Enzyme Commision number 4.6.1.18: pancreatic ribonuclease.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004519 endonuclease activity
GO:0004522 ribonuclease A activity
GO:0004540 RNA nuclease activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wbu, PDBe:1wbu, PDBj:1wbu
PDBsum1wbu
PubMed15658854
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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