Structure of PDB 1bex Chain B Binding Site BS04
Receptor Information
>1bex Chain B (length=128) Species:
287
(Pseudomonas aeruginosa) [
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AECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLPKNVMGHNWVL
STAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK
Ligand information
Ligand ID
RBU
InChI
InChI=1S/2C10H8N2.C3H4N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H,(H,4,5);
InChIKey
LVAGRRXZENULKW-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
OpenEye OEToolkits 2.0.7
c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5
Formula
C23 H20 N6 Ru
Name
RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain
1bex Chain B Residue 130 [
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Receptor-Ligand Complex Structure
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PDB
1bex
Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2'-bipyridine)2(imidazole)2]SO4 x 10H2O.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
K70 L73 D77 H83
Binding residue
(residue number reindexed from 1)
K70 L73 D77 H83
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005507
copper ion binding
GO:0005515
protein binding
GO:0008270
zinc ion binding
GO:0009055
electron transfer activity
GO:0042802
identical protein binding
GO:0046872
metal ion binding
GO:0046914
transition metal ion binding
Cellular Component
GO:0042597
periplasmic space
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Molecular Function
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Cellular Component
External links
PDB
RCSB:1bex
,
PDBe:1bex
,
PDBj:1bex
PDBsum
1bex
PubMed
10089343
UniProt
P00282
|AZUR_PSEAE Azurin (Gene Name=azu)
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