Structure of PDB 1rar Chain A Binding Site BS01

Receptor Information
>1rar Chain A (length=123) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESL
ADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQ
ANKHIIVACEGNPYVPVHFDASV
Ligand information
Ligand IDAEN
InChIInChI=1S/C14H16N2O4S/c1-10(17)15-8-9-16-13-6-2-5-12-11(13)4-3-7-14(12)21(18,19)20/h2-7,16H,8-9H2,1H3,(H,15,17)(H,18,19,20)
InChIKeyFBZFLXJHAMMUQM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)c1cccc2c1cccc2NCCNC(=O)C
CACTVS 3.341CC(=O)NCCNc1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O
FormulaC14 H16 N2 O4 S
Name5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain1rar Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rar Crystal structure of a fluorescent derivative of RNase A.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q11 H12 V118 H119
Binding residue
(residue number reindexed from 1)		Q10 H11 V117 H118
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K41 H119 F120 D121
Catalytic site (residue number reindexed from 1) H11 K40 H118 F119 D120
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:1rar, PDBe:1rar, PDBj:1rar
PDBsum1rar
PubMed8357795
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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