Structure of PDB 2a8g Chain B Binding Site BS01
Receptor Information
>2a8g Chain B (length=121) Species:
9031
(Gallus gallus) [
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KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
ENTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRL
Ligand information
Ligand ID
GNG
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey
YKBGVTZYEHREMT-KVQBGUIXSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N
ACDLabs 10.04
O=C3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO
CACTVS 3.341
NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N
CACTVS 3.341
NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
Formula
C10 H13 N5 O4
Name
2'-DEOXY-GUANOSINE
ChEMBL
CHEMBL68908
DrugBank
ZINC
ZINC000000404256
PDB chain
2a8g Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
2a8g
Recognition of oxidatively modified bases within the biotin-binding site of avidin.
Resolution
1.99 Å
Binding residue
(original residue number in PDB)
S16 Y33 W70 F72 T77 W97 N118
Binding residue
(residue number reindexed from 1)
S14 Y31 W68 F70 T75 W95 N116
Annotation score
4
Binding affinity
MOAD
: Kd=205uM
PDBbind-CN
: -logKd/Ki=3.69,Kd=205uM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0009374
biotin binding
Biological Process
GO:0019731
antibacterial humoral response
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:2a8g
,
PDBe:2a8g
,
PDBj:2a8g
PDBsum
2a8g
PubMed
16413579
UniProt
P02701
|AVID_CHICK Avidin (Gene Name=AVD)
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