Structure of PDB 2iwe Chain J Binding Site BS01

Receptor Information
>2iwe Chain J (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
KLKEGEQYMFFCTFPGGSALMKGTLTLK
Ligand information
Ligand ID2IH
InChIInChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2
InChIKeyCHRPUSCNMSNSKL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C(CCCn1ccnc1)CCn2ccnc2
OpenEye OEToolkits 1.5.0c1cn(cn1)CCCCCCn2ccnc2
ACDLabs 10.04n1ccn(c1)CCCCCCn2ccnc2
FormulaC12 H18 N4
Name1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE);
1,6-DI(IMIDAZOL-1-YL)HEXANE
ChEMBLCHEMBL1229947
DrugBankDB06968
ZINCZINC000053683994
PDB chain2iwe Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iwe Click-Chemistry with an Active Site Variant of Azurin
Resolution2.83 Å
Binding residue
(original residue number in PDB)		M13 V43 M44 G45 H46 F114
Binding residue
(residue number reindexed from 1)		M13 V43 M44 G45 H46 F114
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:2iwe, PDBe:2iwe, PDBj:2iwe
PDBsum2iwe
PubMed
UniProtP00282|AZUR_PSEAE Azurin (Gene Name=azu)

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