Structure of PDB 1bex Chain B Binding Site BS01

Receptor Information
>1bex Chain B (length=128) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLPKNVMGHNWVL
STAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK
Ligand information
Ligand IDRBU
InChIInChI=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);
InChIKeyLVAGRRXZENULKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
OpenEye OEToolkits 2.0.7c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5
FormulaC23 H20 N6 Ru
NameRUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain1bex Chain A Residue 130 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bex Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2'-bipyridine)2(imidazole)2]SO4 x 10H2O.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D93 S94
Binding residue
(residue number reindexed from 1)		D93 S94
Annotation score1
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1bex, PDBe:1bex, PDBj:1bex
PDBsum1bex
PubMed10089343
UniProtP00282|AZUR_PSEAE Azurin (Gene Name=azu)

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