Structure of PDB 3ibo Chain A Binding Site BS02

Receptor Information
>3ibo Chain A (length=128) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQCSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLPKNVMGHNWVL
STAADMQGVVTDGMASGLDKDYLKPDDSRVIAQTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLHLK
Ligand information
Ligand IDREP
InChIInChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;/h1-8H;;;;
InChIKeyHRZLGVADJDWBIJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O
CACTVS 3.385[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc3cccnc23
FormulaC15 H8 N2 O3 Re
Name(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
ChEMBL
DrugBank
ZINC
PDB chain3ibo Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ibo Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		T21 Q107 T124 H126
Binding residue
(residue number reindexed from 1)		T21 Q107 T124 H126
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:3ibo, PDBe:3ibo, PDBj:3ibo
PDBsum3ibo
PubMed19639996
UniProtP00282|AZUR_PSEAE Azurin (Gene Name=azu)

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