Structure of PDB 11ba Chain B Binding Site BS01
Receptor Information
>11ba Chain B (length=124) Species:
9913
(Bos taurus) [
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KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHES
LADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTT
QVEKHIIVACGGKPSVPVHFDASV
Ligand information
Ligand ID
UPA
InChI
InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-27)36-18(14)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
InChIKey
QARCCHXXGAIRFS-KPKSGTNCSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)NC5=O)CO)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O
Formula
C19 H24 N7 O12 P
Name
URIDYLYL-2'-5'-PHOSPHO-ADENOSINE
ChEMBL
DrugBank
DB03447
ZINC
ZINC000015268260
PDB chain
11ba Chain B Residue 126 [
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Receptor-Ligand Complex Structure
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PDB
11ba
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2',5')adenosine.
Resolution
2.06 Å
Binding residue
(original residue number in PDB)
K41 N44 T45 N67 Q69 N71 A109 H119 F120
Binding residue
(residue number reindexed from 1)
K41 N44 T45 N67 Q69 N71 A109 H119 F120
Annotation score
1
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: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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:11ba
,
PDBe:11ba
,
PDBj:11ba
PDBsum
11ba
PubMed
10082366
UniProt
P00669
|RNS_BOVIN Seminal ribonuclease (Gene Name=SRN)
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