Structure of PDB 11bg Chain A Binding Site BS01
Receptor Information
>11bg Chain A (length=124) Species:
9913
(Bos taurus) [
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KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHES
LADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTT
QVEKHIIVACGGKPSVPVHFDASV
Ligand information
Ligand ID
U2G
InChI
InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
InChIKey
DFYLLEBFVZTKHD-VMIOUTBZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[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
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[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
ACDLabs 10.04
O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
Formula
C19 H24 N7 O13 P
Name
URIDYLYL-2'-5'-PHOSPHO-GUANOSINE;
PHOSPHORIC ACID-2'-[2'-DEOXY-URIDINE]ESTER-5'-GUANOSINE ESTER
ChEMBL
DrugBank
DB04514
ZINC
ZINC000058661254
PDB chain
11bg Chain A Residue 130 [
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Receptor-Ligand Complex Structure
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PDB
11bg
A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
V43 N44 T45 K66 K104 F120 A122 S123
Binding residue
(residue number reindexed from 1)
V43 N44 T45 K66 K104 F120 A122 S123
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
View graph for
Cellular Component
External links
PDB
RCSB:11bg
,
PDBe:11bg
,
PDBj:11bg
PDBsum
11bg
PubMed
10543951
UniProt
P00669
|RNS_BOVIN Seminal ribonuclease (Gene Name=SRN)
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