Structure of PDB 1jzj Chain A Binding Site BS03

Receptor Information

>1jzj Chain A (length=128) Species: 287 (Pseudomonas aeruginosa)

AECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLPKNVMGHNWVL
STAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK

Ligand information

• Ligand ID: IME
• InChI: InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+4;;
• InChIKey: QHMVDLPUUJNKGZ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.2: c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]
  CACTVS 3.370: O|[Cu](|O)(n1ccnc1)(n2ccnc2)(n3ccnc3)n4ccnc4
  ACDLabs 12.01: n1ccn(c1)[Cu](n2ccnc2)(O)(O)(n3ccnc3)n4ccnc4
• Formula: C12 H16 Cu N8 O2
• Name: TETRA(IMIDAZOLE)DIAQUACOPPER (II)
• DrugBank: DB03840
• PDB chain: 1jzj Chain A Residue 2000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1jzj Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): K24 S25 K27 D98 S100 L102
• Binding residue (residue number reindexed from 1): K24 S25 K27 D98 S100 L102
• Annotation score: 1

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

External links

• PDB: RCSB:1jzj, PDBe:1jzj, PDBj:1jzj
• PDBsum: 1jzj
• PubMed: 11716717
• UniProt: P00282|AZUR_PSEAE Azurin (Gene Name=azu)