Structure of PDB 1o0m Chain A Binding Site BS01

Receptor Information
>1o0m 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 IDU2P
InChIInChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyHQIDPEYTETUCNF-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O[P](O)(O)=O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NamePHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER;
URIDINE-2'-PHOSPHATE;
2'-URIDINEMONOPHOSPHATE
ChEMBLCHEMBL447360
DrugBank
ZINCZINC000004095997
PDB chain1o0m Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o0m High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q11 H12 K41 V43 N44 T45 H119 F120
Binding residue
(residue number reindexed from 1)		Q11 H12 K41 V43 N44 T45 H119 F120
Annotation score4
Binding affinityMOAD: Ki=7.1uM
PDBbind-CN: -logKd/Ki=5.15,Ki=7.1uM
BindingDB: Ki=11600nM
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:1o0m, PDBe:1o0m, PDBj:1o0m
PDBsum1o0m
PubMed14573867
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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