Structure of PDB 6mjr Chain C Binding Site BS01

Receptor Information
>6mjr Chain C (length=128) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLPKNVMGHNFVL
STAADMQGVVTDGMASGLDKDFLKPDDSRVIAQTKLIGSGEKDSVTFDVS
KLKEGEQFMFFCTFPGHSALMWGFLHLK
Ligand information
Ligand IDREQ
InChIInChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;
InChIKeySINYNGNXCUIFTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O
CACTVS 3.370[Re]|1(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)ccn|1c4c23
FormulaC17 H12 N2 O3 Re
Name(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
ChEMBL
DrugBank
ZINC
PDB chain6mjr Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mjr Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
Resolution2.012 Å
Binding residue
(original residue number in PDB)		A119 W122
Binding residue
(residue number reindexed from 1)		A119 W122
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:6mjr, PDBe:6mjr, PDBj:6mjr
PDBsum6mjr
PubMed30693338
UniProtP00282|AZUR_PSEAE Azurin (Gene Name=azu)

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