Structure of PDB 9rsa Chain B Binding Site BS01

Receptor Information
>9rsa Chain B (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 IDADU
InChIInChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1
InChIKeyBUUSLPRPRSICHU-JLRHVRHOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(OC(C1O)N2C=CC(=O)NC2=O)CO
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO
FormulaC11 H15 N3 O6
Name3'-DEOXY-3'-ACETAMIDO-URIDINE;
((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL)
ChEMBL
DrugBank
ZINC
PDB chain9rsa Chain B Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9rsa Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		V118 H119
Binding residue
(residue number reindexed from 1)		V118 H119
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:9rsa, PDBe:9rsa, PDBj:9rsa
PDBsum9rsa
PubMed2340284
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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