Structure of PDB 1n3z Chain A Binding Site BS01

Receptor Information
>1n3z Chain A (length=119) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KESAAAKFERQHMDSGSSNYCNLMMCCRKMTQGKCKPVNTFVHESLADVK
AVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTTQVEKH
IIVACGGKPSVPVHFDASV
Ligand information
Ligand IDU3P
InChIInChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)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
InChIKeyFOGRQMPFHUHIGU-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)CO
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
Name3'-URIDINEMONOPHOSPHATE
ChEMBLCHEMBL460741
DrugBankDB02714
ZINCZINC000004095646
PDB chain1n3z 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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PDB1n3z The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K41 N44 T45 F120
Binding residue
(residue number reindexed from 1)		K36 N39 T40 F115
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.20,Ki=63.2uM
BindingDB: Ki=63200nM
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K41 H119 F120 D121
Catalytic site (residue number reindexed from 1) H12 K36 H114 F115 D116
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:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0050830 defense response to Gram-positive bacterium
GO:0051607 defense response to virus
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:1n3z, PDBe:1n3z, PDBj:1n3z
PDBsum1n3z
PubMed12833549
UniProtP00669|RNS_BOVIN Seminal ribonuclease (Gene Name=SRN)

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