Structure of PDB 1rbn Chain A Binding Site BS01

Receptor Information
>1rbn 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 IDP5P
InChIInChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
InChIKeyMCWDCZIDTUQRHK-FDDDBJFASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23
OpenEye OEToolkits 1.5.0c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cncnc23
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O
FormulaC10 H13 N4 O7 P
NamePURINE RIBOSIDE-5'-MONOPHOSPHATE
ChEMBLCHEMBL96862
DrugBankDB03726
ZINCZINC000015614364
PDB chain1rbn 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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PDB1rbn Structure of ribonuclease A derivative II at 2.1-A resolution.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K1 E2 T3 A4
Binding residue
(residue number reindexed from 1)		K1 E2 T3 A4
Annotation score4
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:1rbn, PDBe:1rbn, PDBj:1rbn
PDBsum1rbn
PubMed8051049
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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