Structure of PDB 5aq6 Chain A Binding Site BS01

Receptor Information

>5aq6 Chain A (length=190) Species: 469008 (Escherichia coli BL21(DE3))

HSHGKPLTEVEQKAANGVFDDANVQNRKLSDWDGVWQSVYPLLQSGKLDP
VFQKKADADKTKTFAEIKDYYHKGYATDIEMIGIEDGIVEFHRNNETTSC
KYDYDGYKILTYKSGKKGVRYLFECKDPESKAPKYIQFSDHIIAPRKSSH
FHIFMGNDSQQSLLNEMENWPTYYPYQLSSEEVVEEMMSH

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5aq6 Chain A Residue 1194

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5aq6 Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): H1 H6 E189 H193
• Binding residue (residue number reindexed from 1): H1 H3 E186 H190
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0046870 cadmium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006882 intracellular zinc ion homeostasis
• GO:0034224 cellular response to zinc ion starvation
• GO:0070301 cellular response to hydrogen peroxide
• GO:0071276 cellular response to cadmium ion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0030288 outer membrane-bounded periplasmic space
• GO:0042597 periplasmic space

External links

• PDB: RCSB:5aq6, PDBe:5aq6, PDBj:5aq6
• PDBsum: 5aq6
• PubMed: 26758285
• UniProt: P76344|ZINT_ECOLI Metal-binding protein ZinT (Gene Name=zinT)